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5,500
Probabilistic estimation of microarray data reliability and underlying gene expression
q-bio.QM
Background: The availability of high throughput methods for measurement of mRNA concentrations makes the reliability of conclusions drawn from the data and global quality control of samples and hybridization important issues. We address these issues by an information theoretic approach, applied to discretized expressio...
biology
5,501
Development of a Multiphoton Fluorescence Lifetime Imaging Microscopy (FLIM) system using a Streak Camera
q-bio.QM
We report the development and detailed calibration of a multiphoton fluorescence lifetime imaging system (FLIM) using a streak camera. The present system is versatile with high spatial (0.2 micron) and temporal (50 psec) resolution and allows rapid data acquisition and reliable and reproducible lifetime determinations....
biology
5,502
Idl Signal Processing Library 1.0
q-bio.QM
We make available a library of documented IDL .pro files as well as a shareable object library that allows IDL to call routines from LAPACK. The routines are for use in the spectral analysis of time series data. The primary focus of these routines are David Thomson's multitaper methods but a whole range of functions wi...
biology
5,503
Response kinetics of tethered bacteria to stepwise changes in nutrient concentration
q-bio.QM
We examined the changes in swimming behaviour of the bacterium Rhodobacter sphaeroides in response to stepwise changes in a nutrient (propionate), following the prestimulus motion, the initial response and the adaptation to the sustained concentration of the chemical. This was carried out by tethering motile cells by t...
biology
5,504
Solvent content of protein crystals from diffraction intensities by Independent Component Analysis
q-bio.QM
An analysis of the protein content of several crystal forms of proteins has been performed. We apply a new numerical technique, the Independent Component Analysis (ICA), to determine the volume fraction of the asymmetric unit occupied by the protein. This technique requires only the crystallographic data of structure f...
biology
5,505
Identification in models of biochemical reactions
q-bio.QM
We introduce, analyze, and implement a new method for parameter identification for system of ordinary differential equations that are used to model sets of biochemical reactions. Our method relies on the integral formulation of the ODE system and a method of linear least squares applied to the integral equations. Certa...
biology
5,506
Microelectromagnets for the manipulation of biological systems
q-bio.QM
Microelectromagnet devices, a ring trap and a matrix, were developed for the microscopic control of biological systems. The ring trap is a circular Au wire with an insulator on top. The matrix has two arrays of straight Au wires, one array perpendicular to the other, that are separated and topped by insulating layers. ...
biology
5,507
A Barrier Penetration Model for DNA Double Strand Separation
q-bio.QM
A barrier penetration model has been proposed to explain the spontaneous melting of the DNA oligomers into two separate single strands whereas the partially melted intermediate states are shown to be the bound state solution of the same effective potential that generates the barrier.
biology
5,508
Open Mass Spectrometry Search Algorithm
q-bio.QM
Large numbers of MS/MS peptide spectra generated in proteomics experiments require efficient, sensitive and specific algorithms for peptide identification. In the Open Mass Spectrometry Search Algorithm [OMSSA], specificity is calculated by a classic probability score using an explicit model for matching experimental s...
biology
5,509
Finite Width Model Sequence Comparison
q-bio.QM
Sequence comparison is a widely used computational technique in modern molecular biology. In spite of the frequent use of sequence comparisons the important problem of assigning statistical significance to a given degree of similarity is still outstanding. Analytical approaches to filling this gap usually make use of a...
biology
5,510
Predicting Genetic Regulatory Response using Classification: Yeast Stress Response
q-bio.QM
We present a novel classification-based algorithm called GeneClass for learning to predict gene regulatory response. Our approach is motivated by the hypothesis that in simple organisms such as Saccharomyces cerevisiae, we can learn a decision rule for predicting whether a gene is up- or down-regulated in a particular ...
biology
5,511
Rate-dependent propagation of cardiac action potentials in a one-dimensional fiber
q-bio.QM
Action potential duration (APD) restitution, which relates APD to the preceding diastolic interval (DI), is a useful tool for predicting the onset of abnormal cardiac rhythms. However, it is known that different pacing protocols lead to different APD restitution curves (RCs). This phenomenon, known as APD rate-dependen...
biology
5,512
Computation of amplification for systems arising from cellular signaling pathways
q-bio.QM
A commonly employed measure of the signal amplification properties of an input/output system is its induced L2 norm, sometimes also known as "H infinity" gain. In general, however, it is extremely difficult to compute the numerical value for this norm, or even to check that it is finite, unless the system being studied...
biology
5,513
Dependence of RNA secondary structure on the energy model
q-bio.QM
We analyze a microscopic RNA model, which includes two widely used models as limiting cases, namely it contains terms for bond as well as for stacking energies. We numerically investigate possible changes in the qualitative and quantitative behaviour while going from one model to the other; in particular we test, wheth...
biology
5,514
Nonstationary time series analysis of heart rate variability
q-bio.QM
An analysis of the RR-interval time series, $t_i$, is presented for the case in which the average time, $\bar{t}$, changes slowly. In particular, $\bar{t}$ and a short-time scale variability parameter, $V$, are simultaneously measured while $\bar{t}$ decreases for subjects in the reclined position. The initial decrease...
biology
5,515
Predicting Genetic Regulatory Response Using Classification
q-bio.QM
We present a novel classification-based method for learning to predict gene regulatory response. Our approach is motivated by the hypothesis that in simple organisms such as Saccharomyces cerevisiae, we can learn a decision rule for predicting whether a gene is up- or down-regulated in a particular experiment based on ...
biology
5,516
Multiple sequence alignment based on set covers
q-bio.QM
We introduce a new heuristic for the multiple alignment of a set of sequences. The heuristic is based on a set cover of the residue alphabet of the sequences, and also on the determination of a significant set of blocks comprising subsequences of the sequences to be aligned. These blocks are obtained with the aid of a ...
biology
5,517
Computational Methods and Results for Structured Multiscale Models of Tumor Invasion
q-bio.QM
We present multiscale models of cancer tumor invasion with components at the molecular, cellular, and tissue levels. We provide biological justifications for the model components, present computational results from the model, and discuss the scientific-computing methodology used to solve the model equations. The models...
biology
5,518
Variable selection from random forests: application to gene expression data
q-bio.QM
Random forest is a classification algorithm well suited for microarray data: it shows excellent performance even when most predictive variables are noise, can be used when the number of variables is much larger than the number of observations, and returns measures of variable importance. Thus, it is important to unders...
biology
5,519
A methodology for determining amino-acid substitution matrices from set covers
q-bio.QM
We introduce a new methodology for the determination of amino-acid substitution matrices for use in the alignment of proteins. The new methodology is based on a pre-existing set cover on the set of residues and on the undirected graph that describes residue exchangeability given the set cover. For fixed functional form...
biology
5,520
Modeling multi-cellular systems using sub-cellular elements
q-bio.QM
We introduce a model for describing the dynamics of large numbers of interacting cells. The fundamental dynamical variables in the model are sub-cellular elements, which interact with each other through phenomenological intra- and inter-cellular potentials. Advantages of the model include i) adaptive cell-shape dynamic...
biology
5,521
Combinatorial rules of icosahedral capsid growth
q-bio.QM
A model of growth of icosahedral viral capsids is proposed. It takes into account the diversity of hexamers' compositions, leading to definite capsid size. We show that the observed yield of capsid production implies a very high level of self-organization of elementary building blocks. The exact number of different pro...
biology
5,522
Quantitative Measure of Stability in Gene Regulatory Networks
q-bio.QM
A quantitative measure of stability in stochastic dynamics starts to emerge in recent experiments on bioswitches. This quantity, similar to the potential function in mathematics, is deeply rooted in biology, dated back at the beginning of quantitative description of biological processes: the adaptive landscape of Wrigh...
biology
5,523
A Modified Iterative IOM Approach for Optimization of Biochemical Systems
q-bio.QM
The presented previously indirect optimization method (IOM) developed within biochemical systems theory (BST) provides a versatile and mathematically tractable optimization strategy for biochemical systems. However, due to the local approximations nature of the BST formalism, the iterative version of this technique pos...
biology
5,524
Statistical Predictive Models in Ecology: Comparison of Performances and Assessment of Applicability
q-bio.QM
Ecological systems are governed by complex interactions which are mainly nonlinear. In order to capture this complexity and nonlinearity, statistical models recently gained popularity. However, although these models are commonly applied in ecology, there are no studies to date aiming to assess the applicability and per...
biology
5,525
Kernel methods in genomics and computational biology
q-bio.QM
Support vector machines and kernel methods are increasingly popular in genomics and computational biology, due to their good performance in real-world applications and strong modularity that makes them suitable to a wide range of problems, from the classification of tumors to the automatic annotation of proteins. Their...
biology
5,526
Maximum likelihood estimation of phylogenetic tree and substitution rates via generalized neighbor-joining and the EM algorithm
q-bio.QM
A central task in the study of molecular sequence data from present-day species is the reconstruction of the ancestral relationships. The most established approach to tree reconstruction is the maximum likelihood (ML) method. In this method, evolution is described in terms of a discrete-state continuous-time Markov pro...
biology
5,527
Information based clustering: Supplementary material
q-bio.QM
This technical report provides the supplementary material for a paper entitled "Information based clustering", to appear shortly in Proceedings of the National Academy of Sciences (USA). In Section I we present in detail the iterative clustering algorithm used in our experiments and in Section II we describe the valida...
biology
5,528
Information based clustering
q-bio.QM
In an age of increasingly large data sets, investigators in many different disciplines have turned to clustering as a tool for data analysis and exploration. Existing clustering methods, however, typically depend on several nontrivial assumptions about the structure of data. Here we reformulate the clustering problem f...
biology
5,529
Co-transport-induced instability of membrane voltage in tip-growing cells
q-bio.QM
A salient feature of stationary patterns in tip-growing cells is the key role played by the symports and antiports, membrane proteins that translocate two ionic species at the same time. It is shown that these co-transporters destabilize generically the membrane voltage if the two translocated ions diffuse differently ...
biology
5,530
Surprises in approximating Levenshtein distances
q-bio.QM
The Levenshtein distance is an important tool for the comparison of symbolic sequences, with many appearances in genome research, linguistics and other areas. For efficient applications, an approximation by a distance of smaller computational complexity is highly desirable. However, our comparison of the Levenshtein wi...
biology
5,531
Statistical Properties of the Interbeat Interval Cascade in Human Subjects
q-bio.QM
Statistical properties of interbeat intervals cascade are evaluated by considering the joint probability distribution $P(\Delta x_2,\tau_2;\Delta x_1,\tau_1)$ for two interbeat increments $\Delta x_1$ and $\Delta x_2$ of different time scales $\tau_1$ and $\tau_2$. We present evidence that the conditional probability d...
biology
5,532
New Computational Approaches to Analysis of Interbeat Intervals in Human Subjects
q-bio.QM
We investigate the Markov nature, Cascade of information from large time scale to small scale and extended self similarity properties of the beat to beat fluctuations of healthy subjects as well as those with congestive heart failure. To check the Markov nature, we use a novel inverse method that utilizes a set of data...
biology
5,533
A quantitative model for refilling of the sarcoplasmic reticulum during vascular smooth muscle asynchronous [Ca2+] oscillations
q-bio.QM
We have developed a quantitative model for the creation of cytoplasmic Ca2+ gradients near the inner surface of the plasma membrane (PM). In particular we simulated the refilling of the sarcoplasmic reticulum (SR) via PM-SR junctions during asynchronous [Ca2+] oscillations in smooth muscle cells of the rabbit inferior ...
biology
5,534
The pharmacophore kernel for virtual screening with support vector machines
q-bio.QM
We introduce a family of positive definite kernels specifically optimized for the manipulation of 3D structures of molecules with kernel methods. The kernels are based on the comparison of the three-points pharmacophores present in the 3D structures of molecul es, a set of molecular features known to be particularly re...
biology
5,535
Spectral analysis of gene expression profiles using gene networks
q-bio.QM
Microarrays have become extremely useful for analysing genetic phenomena, but establishing a relation between microarray analysis results (typically a list of genes) and their biological significance is often difficult. Currently, the standard approach is to map a posteriori the results onto gene networks to elucidate ...
biology
5,536
Form follows function -- how PufX increases the efficiency of the light-harvesting complexes of Rhodobacter sphaeroides
q-bio.QM
Some species of purple bacteria as, e.g., Rhodobacter sphaeroides contain the protein PufX. Concurrently, the light harvesting complexes 1 (LH1) form dimers of open rings. In mutants without PufX, the LH1s are closed rings and photosynthesis breaks down, because the ubiquinone exchange at the reaction center is blocked...
biology
5,537
Targeted Projection Pursuit for Gene Expression Data Classification and Visualisation
q-bio.QM
We present a novel method for finding low dimensional views of high dimensional data: Targeted Projection Pursuit. The method proceeds by finding projections of the data that best approximate a target view. Two versions of the method are introduced; one version based on Procrustes analysis and one based on a single lay...
biology
5,538
Overlapping Probabilities of Top Ranking Gene Lists, Hypergeometric Distribution, and Stringency of Gene Selection Criterion
q-bio.QM
When the same set of genes appear in two top ranking gene lists in two different studies, it is often of interest to estimate the probability for this being a chance event. This overlapping probability is well known to follow the hypergeometric distribution. Usually, the lengths of top-ranking gene lists are assumed to...
biology
5,539
Does Logarithm Transformation of Microarray Data Affect Ranking Order of Differentially Expressed Genes?
q-bio.QM
A common practice in microarray analysis is to transform the microarray raw data (light intensity) by a logarithmic transformation, and the justification for this transformation is to make the distribution more symmetric and Gaussian-like. Since this transformation is not universally practiced in all microarray analysi...
biology
5,540
Towards a model for protein production rates
q-bio.QM
This submission is a duplicate of arXiv:q-bio/0602024 and has been removed.
biology
5,541
Scaling graphs of heart rate time series in athletes demonstrate the VLF, LF and HF regions
q-bio.QM
Scaling analysis of heart rate time series has emerged as an useful tool for assessment of autonomic cardiac control. We investigate the heart rate time series of ten athletes (five males and five females), by applying detrended fluctuation analysis (DFA). High resolution ECGs are recorded under standardized resting co...
biology
5,542
A Simple Solution of the Lotka-Volterra Equations
q-bio.QM
In this work we consider a simple, approximate, tending toward exact, solution of the system of two usual Lotka-Volterra differential equations. Given solution is obtained by an iterative method. In any finite approximation order of this solution, exponents of the corresponding Lotka-Volterra variables have simple, tim...
biology
5,543
Granger Causality: Basic Theory and Application to Neuroscience
q-bio.QM
Multi-electrode neurophysiological recordings produce massive quantities of data. Multivariate time series analysis provides the basic framework for analyzing the patterns of neural interactions in these data. It has long been recognized that neural interactions are directional. Being able to assess the directionality ...
biology
5,544
Lagrangian Approaches for a class of Matching Problems in Computational Biology
q-bio.QM
This paper presents efficient algorithms for solving the problem of aligning a protein structure template to a query amino-acid sequence, known as protein threading problem. We consider the problem as a special case of graph matching problem. We give formal graph and integer programming models of the problem. After stu...
biology
5,545
A simple model of energy expenditure in human locomotion
q-bio.QM
A simple harmonic oscillator model is proposed to describe the mechanical power involved in human locomotion. In this framework, by taking into account the anthropometric parameters of a standard individual, we are able to calculate the speed-power curves in human walking. The proposed model accounts for the well known...
biology
5,546
Dynamic behaviors in directed networks
q-bio.QM
Motivated by the abundance of directed synaptic couplings in a real biological neuronal network, we investigate the synchronization behavior of the Hodgkin-Huxley model in a directed network. We start from the standard model of the Watts-Strogatz undirected network and then change undirected edges to directed arcs with...
biology
5,547
Graph kernels based on tree patterns for molecules
q-bio.QM
Motivated by chemical applications, we revisit and extend a family of positive definite kernels for graphs based on the detection of common subtrees, initially proposed by Ramon et al. (2003). We propose new kernels with a parameter to control the complexity of the subtrees used as features to represent the graphs. Thi...
biology
5,548
An algorithm for real-time estimation of Mezcal fermentation parameters based on redox potential measurements
q-bio.QM
We present an algorithm for the continuous monitoring of the biomass and ethanol concentrations and moreover the kinetic rate in the Mezcal fermentation process. This algorithm performs its task having only available the on-line measurements of the redox potential. The procedure includes an artificial neural network (A...
biology
5,549
A family tree of Markov models in systems biology
q-bio.QM
Motivated by applications in systems biology, we seek a probabilistic framework based on Markov processes to represent intracellular processes. We review the formal relationships between different stochastic models referred to in the systems biology literature. As part of this review, we present a novel derivation of t...
biology
5,550
Determination and Spectroscopy of Quantum Yields in Bio/Chemiluminescence via Novel Light-Collection-Efficiency Calibration: Reexamination of The Aqueous Luminol Chemiluminescence Standard
q-bio.QM
We have developed a luminescence-measurement system for liquid bio/chemiluminescence that can obtain quantitative luminescence spectra as the absolute total number of luminescence photons at each wavelength or photon energy and quantum yields. Calibration of light-collection efficiency in the system is performed with a...
biology
5,551
Integrated Cell Manipulation Systems
q-bio.QM
A new type of microfluidic system for biological cell manipulation, a CMOS/microfluidic hybrid, is demonstrated. The hybrid system starts with a custom-designed CMOS (complementary metal-oxide semiconductor) chip fabricated in a semiconductor foundry using standard integration circuit technology. A microfluidic channel...
biology
5,552
Heterogeneous Cell Population Dynamics: Equation-Free Uncertainty Quantification Computations
q-bio.QM
We propose a computational approach to modeling the collective dynamics of populations of coupled heterogeneous biological oscillators. In contrast to Monte Carlo simulation, this approach utilizes generalized Polynomial Chaos (gPC) to represent random properties of the population, thus reducing the dynamics of ensembl...
biology
5,553
Effective Sample Size: Quick Estimation of the Effect of Related Samples in Genetic Case-Control Association Analyses
q-bio.QM
Affected relatives are essential for pedigree linkage analysis, however, they cause a violation of the independent sample assumption in case-control association studies. To avoid the correlation between samples, a common practice is to take only one affected sample per pedigree in association analysis. Although several...
biology
5,554
Effects of Selection Logging on Rainforest Productivity
q-bio.QM
An analysis of data from 212 permanent sample plots provided no evidence of any decline in rainforest productivity after three cycles of selection logging in the tropical rainforests of north Queensland. Relative productivity was determined as the difference between observed diameter increments and increments predicted...
biology
5,555
A complete classification of epistatic two-locus models
q-bio.QM
The study of epistasis is of great importance in statistical genetics in fields such as linkage and association analysis and QTL mapping. In an effort to classify the types of epistasis in the case of two biallelic loci Li and Reich listed and described all models in the simplest case of 0/1 penetrance values. However,...
biology
5,556
Genetic code on the dyadic plane
q-bio.QM
We introduce the simple parametrization for the space of codons (triples of nucleotides) by 8\times 8 table. This table (which we call the dyadic plane) possesses the natural 2-adic ultrametric. We show that after this parametrization the genetic code will be a locally constant map of the simple form. The local constan...
biology
5,557
Epitope prediction improved by multitask support vector machines
q-bio.QM
Motivation: In silico methods for the prediction of antigenic peptides binding to MHC class I molecules play an increasingly important role in the identification of T-cell epitopes. Statistical and machine learning methods, in particular, are widely used to score candidate epitopes based on their similarity with known ...
biology
5,558
Coincident Frequencies and Relative Phases Among Female-Brain Signals and Progesterone-Estrogen levels
q-bio.QM
Fourier transform has become a basic tool for analyzing biological signals 1,2,3. Mostly a fast Fourier transform is computed for a finite sequence of data sample 4. This is the standard way apparatuses and modern computerized technology provide information, according with their frequency range, of the well known brain...
biology
5,559
On the relationships between kinetic schemes and two-state single molecule trajectories
q-bio.QM
Trajectories of a signal that fluctuates between two states which originate from single molecule activities have become ubiquitous. Common examples are trajectories of ionic flux through individual membrane-channels, and of photon counts collected from diffusion, activity, and conformational changes of biopolymers. By ...
biology
5,560
Multifractal analysis of normal RR heart-interbeat signals in power spectra ranges
q-bio.QM
Power spectral density is an accepted measure of heart rate variability. Two estimators of multifractal properties: Wavelet Transform Modulus Maxima and Multifractal Detrended Fluctuation Analysis are used to investigate multifractal properties for the three strongly physiologically grounded components of power spectra...
biology
5,561
Symbolic Reachability Analysis of Genetic Regulatory Networks using Qualitative Abstractions
q-bio.QM
The switch-like character of gene regulation has motivated the use of hybrid, discrete-continuous models of genetic regulatory networks. While powerful techniques for the analysis, verification, and control of hybrid systems have been developed, the specificities of the biological application domain pose a number of ch...
biology
5,562
Utilizing the information content in two-state trajectories
q-bio.QM
The signal from many single molecule experiments monitoring molecular processes, such as enzyme turnover via fluorescence and opening and closing of ion channel via the flux of ions, consists of a time series of stochastic on and off (or open and closed) periods, termed a two-state trajectory. This signal reflects the ...
biology
5,563
Extracting falsifiable predictions from sloppy models
q-bio.QM
Successful predictions are among the most compelling validations of any model. Extracting falsifiable predictions from nonlinear multiparameter models is complicated by the fact that such models are commonly sloppy, possessing sensitivities to different parameter combinations that range over many decades. Here we discu...
biology
5,564
Converting genetic network oscillations into somite spatial pattern
q-bio.QM
In most vertebrate species, the body axis is generated by the formation of repeated transient structures called somites. This spatial periodicity in somitogenesis has been related to the temporally sustained oscillations in certain mRNAs and their associated gene products in the cells forming the presomatic mesoderm. T...
biology
5,565
Theoretical Analysis of Subthreshold Oscillatory Behaviors in Nonlinear Autonomous Systems
q-bio.QM
We have developed a linearization method to investigate the subthreshold oscillatory behaviors in nonlinear autonomous systems. By considering firstly the neuronal system as an example, we show that this theoretical approach can predict quantitatively the subthreshold oscillatory activities, including the damping coeff...
biology
5,566
Detection of Aneuploidy with Digital PCR
q-bio.QM
The widespread use of genetic testing in high risk pregnancies has created strong interest in rapid and accurate molecular diagnostics for common chromosomal aneuploidies. We show here that digital polymerase chain reaction (dPCR) can be used for accurate measurement of trisomy 21 (Down's Syndrome), the most common hum...
biology
5,567
Visual Data Mining of Genomic Databases by Immersive Graph-Based Exploration
q-bio.QM
Biologists are leading current research on genome characterization (sequencing, alignment, transcription), providing a huge quantity of raw data about many genome organisms. Extracting knowledge from this raw data is an important process for biologists, using usually data mining approaches. However, it is difficult to ...
biology
5,568
A passivity-based stability criterion for a class of interconnected systems and applications to biochemical reaction networks
q-bio.QM
This paper presents a stability test for a class of interconnected nonlinear systems motivated by biochemical reaction networks. One of the main results determines global asymptotic stability of the network from the diagonal stability of a "dissipativity matrix" which incorporates information about the passivity proper...
biology
5,569
Analytic steady-state space use patterns and rapid computations in mechanistic home range analysis
q-bio.QM
Mechanistic home range models are important tools in modeling animal dynamics in spatially-complex environments. We introduce a class of stochastic models for animal movement in a habitat of varying preference. Such models interpolate between spatially-implicit resource selection analysis (RSA) and advection-diffusion ...
biology
5,570
DIA-MCIS. An Importance Sampling Network Randomizer for Network Motif Discovery and Other Topological Observables in Transcription Networks
q-bio.QM
Transcription networks, and other directed networks can be characterized by some topological observables such as for example subgraph occurrence (network motifs). In order to perform such kind of analysis, it is necessary to be able to generate suitable randomized network ensembles. Typically, one considers null networ...
biology
5,571
Spectral plots and the representation and interpretation of biological data
q-bio.QM
It is basic question in biology and other fields to identify the char- acteristic properties that on one hand are shared by structures from a particular realm, like gene regulation, protein-protein interaction or neu- ral networks or foodwebs, and that on the other hand distinguish them from other structures. We introd...
biology
5,572
Attenuation Regulation as a Term Rewriting System
q-bio.QM
The classical attenuation regulation of gene expression in bacteria is considered. We propose to represent the secondary RNA structure in the leader region of a gene or an operon by a term, and we give a probabilistic term rewriting system modeling the whole process of such a regulation.
biology
5,573
Persistence of direction increases the drift velocity of run and tumble chemotaxis
q-bio.QM
Escherichia coli is a motile bacterium that moves up a chemoattractant gradient by performing a biased random walk composed of alternating runs and tumbles. Previous models of run and tumble chemotaxis neglect one or more features of the motion, namely (i) a cell cannot directly detect a chemoattractant gradient but ra...
biology
5,574
Eutacticity in sea urchin evolution
q-bio.QM
An eutactic star, in a n-dimensional space, is a set of N vectors which can be viewed as the projection of N orthogonal vectors in a N-dimensional space. By adequately associating a star of vectors to a particular sea urchin we propose that a measure of the eutacticity of the star constitutes a measure of the regularit...
biology
5,575
A First Exposure to Statistical Mechanics for Life Scientists
q-bio.QM
Statistical mechanics is one of the most powerful and elegant tools in the quantitative sciences. One key virtue of statistical mechanics is that it is designed to examine large systems with many interacting degrees of freedom, providing a clue that it might have some bearing on the analysis of the molecules of living ...
biology
5,576
THEA: ontology-driven analysis of microarray data
q-bio.QM
MOTIVATION: Microarray technology makes it possible to measure thousands of variables and to compare their values under hundreds of conditions. Once microarray data are quantified, normalized and classified, the analysis phase is essentially a manual and subjective task based on visual inspection of classes in the ligh...
biology
5,577
Parameter Estimation in Biokinetic Degradation Models in Wastewater Treatment - A Novel Approach Relevant for Micro-pollutant Removal
q-bio.QM
In this paper we address a general parameter estimation methodology for an extended biokinetic degradation model [1] for poorly degradable micropollutants. In particular we concentrate on parameter estimation of the micropollutant degradation sub-model by specialised microorganisms. In this case we focus on the case wh...
biology
5,578
Kernel methods for in silico chemogenomics
q-bio.QM
Predicting interactions between small molecules and proteins is a crucial ingredient of the drug discovery process. In particular, accurate predictive models are increasingly used to preselect potential lead compounds from large molecule databases, or to screen for side-effects. While classical in silico approaches foc...
biology
5,579
Probabilistic annotation of protein sequences based on functional classifications
q-bio.QM
BACKGROUND: One of the most evident achievements of bioinformatics is the development of methods that transfer biological knowledge from characterised proteins to uncharacterised sequences. This mode of protein function assignment is mostly based on the detection of sequence similarity and the premise that functional p...
biology
5,580
Diffusive hidden Markov model characterization of DNA looping dynamics in tethered particle experiments
q-bio.QM
In many biochemical processes, proteins bound to DNA at distant sites are brought into close proximity by loops in the underlying DNA. For example, the function of some gene-regulatory proteins depends on such DNA looping interactions. We present a new technique for characterizing the kinetics of loop formation in vitr...
biology
5,581
Geometric Aspects of Biological Sequence Comparison
q-bio.QM
We propose a general framework for converting global and local similarities between biological sequences to quasi-metrics. In contrast to previous works, our formulation allows asymmetric distances, originating from uneven weighting of strings, that may induce non-trivial partial orders on sets of biosequences. Further...
biology
5,582
Identification of specificity determining residues in enzymes using environment specific substitution tables
q-bio.QM
Environment specific substitution tables have been used effectively for distinguishing structural and functional constraints on proteins and thereby identify their active sites (Chelliah et al. (2004)). This work explores whether a similar approach can be used to identify specificity determining residues (SDRs) respons...
biology
5,583
A mathematical model quantifies proliferation and motility effects of TGF--$β$ on cancer cells
q-bio.QM
Transforming growth factor (TGF) $\beta$ is known to have properties of both a tumor suppressor and a tumor promoter. While it inhibits cell proliferation, it also increases cell motility and decreases cell--cell adhesion. Coupling mathematical modeling and experiments, we investigate the growth and motility of oncogen...
biology
5,584
CLePAPS: Fast Pair Alignment of Protein Structures Based on Conformational Letters
q-bio.QM
Fast, efficient and reliable algorithms for pairwise alignment of protein structures are in ever increasing demand for analyzing the rapidly growing data of protein structures. CLePAPS is a tool developed for this purpose. It distinguishes itself from other existing algorithms by the use of conformational letters, whic...
biology
5,585
Inherent flexibility and protein function: the open/closed conformational transition of the N-terminal domain of calmodulin
q-bio.QM
The key to understanding a protein's function often lies in its conformational dynamics. We develop a coarse-grained variational model to investigate the interplay between structural transitions, conformational flexibility and function of N-terminal calmodulin (nCaM) domain. In this model, two energy basins correspondi...
biology
5,586
Dependence of nucleotide physical properties on their placement in codons and determinative degree
q-bio.QM
Various physical properties such as dipole moment, heat of formation and energy of the most stable formation of nucleotides and bases were calculated by PM3 (modified neglect of diatomic overlap, parametric method number 3) and AM1 (Austin model 1) methods. As distinct from previous calculations, for nucleotides the in...
biology
5,587
Towards Structural Classification of Proteins based on Contact Map Overlap
q-bio.QM
A multitude of measures have been proposed to quantify the similarity between protein 3-D structure. Among these measures, contact map overlap (CMO) maximization deserved sustained attention during past decade because it offers a fine estimation of the natural homology relation between proteins. Despite this large invo...
biology
5,588
Network reconstruction based on quasi-steady state data
q-bio.QM
This note discusses a theoretical issue regarding the application of the "Modular Response Analysis" method to quasi-steady state (rather than steady-state) data.
biology
5,589
The effect of time distribution shape on simulated epidemic models
q-bio.QM
By convention, and even more often, as an unintentional consequence of design, time distributions of latency and infectious durations in stochastic epidemic simulations are often exponential. The skewed distribtion typically leads to unrealistically short times. We examine the effects of altering the distribution laten...
biology
5,590
Cross-Scale Sensitivity Analysis of a Non-Small Cell Lung Cancer Model: Linking Molecular Signaling Properties to Cellular Behavior
q-bio.QM
Sensitivity analysis is an effective tool for systematically identifying specific perturbations in parameters that have significant effects on the behavior of a given biosystem, at the scale investigated. In this work, using a two-dimensional, multiscale non-small cell lung cancer (NSCLC) model, we examine the effects ...
biology
5,591
On fitting power laws to ecological data
q-bio.QM
Heavy-tailed or power-law distributions are becoming increasingly common in biological literature. A wide range of biological data has been fitted to distributions with heavy tails. Many of these studies use simple fitting methods to find the parameters in the distribution, which can give highly misleading results. The...
biology
5,592
Integrating heterogeneous knowledges for understanding biological behaviors: a probabilistic approach
q-bio.QM
Despite recent molecular technique improvements, biological knowledge remains incomplete. Reasoning on living systems hence implies to integrate heterogeneous and partial informations. Although current investigations successfully focus on qualitative behaviors of macromolecular networks, others approaches show partial ...
biology
5,593
Offdiagonal complexity: A computationally quick network complexity measure. Application to protein networks and cell division
q-bio.QM
Many complex biological, social, and economical networks show topologies drastically differing from random graphs. But, what is a complex network, i.e.\ how can one quantify the complexity of a graph? Here the Offdiagonal Complexity (OdC), a new, and computationally cheap, measure of complexity is defined, based on the...
biology
5,594
Rediscovering the power of pairwise interactions
q-bio.QM
Two recent streams of work suggest that pairwise interactions may be sufficient to capture the complexity of biological systems ranging from protein structure to networks of neurons. In one approach, possible amino acid sequences in a family of proteins are generated by Monte Carlo annealing of a "Hamiltonian" that for...
biology
5,595
Computing knock out strategies in metabolic networks
q-bio.QM
Given a metabolic network in terms of its metabolites and reactions, our goal is to efficiently compute the minimal knock out sets of reactions required to block a given behaviour. We describe an algorithm which improves the computation of these knock out sets when the elementary modes (minimal functional subsystems) o...
biology
5,596
Analysis of a Gibbs sampler method for model based clustering of gene expression data
q-bio.QM
Over the last decade, a large variety of clustering algorithms have been developed to detect coregulatory relationships among genes from microarray gene expression data. Model based clustering approaches have emerged as statistically well grounded methods, but the properties of these algorithms when applied to large-sc...
biology
5,597
Virtual screening of GPCRs: an in silico chemogenomics approach
q-bio.QM
The G-protein coupled receptor (GPCR) superfamily is currently the largest class of therapeutic targets. \textit{In silico} prediction of interactions between GPCRs and small molecules is therefore a crucial step in the drug discovery process, which remains a daunting task due to the difficulty to characterize the 3D s...
biology
5,598
Transition from 12 to near-24 hours glucose circadian rhythm on relaxation of a hyperglycemic condition
q-bio.QM
A composite, exponential relaxation function, modulated by a periodic component, was used to fit to an experimental time series of blood glucose levels. The 11 parameters function that allows for the detection of a possible rhythm transition was fitted to the experimental time series using a genetic algorithm. It has b...
biology
5,599
Toolbox for analyzing finite two-state trajectories
q-bio.QM
In many experiments, the aim is to deduce an underlying multi-substate on-off kinetic scheme (KS) from the statistical properties of a two-state trajectory. However, the mapping of a KS into a two-state trajectory leads to the loss of information about the KS, and so, in many cases, more than one KS can be associated w...
biology