complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
3R6S-CMP | data/3R/3R6S-CMP/3R6S-CMP_ligand.pdbqt | data/3R/3R6S-CMP/3R6S-CMP_target.pdbqt | data/3R/3R6S-CMP/3R6S-CMP_decoys.pdbqt | data/3R/3R6S-CMP/3R6S-CMP_decoy_scores.csv |
3RQN-Y2F | data/3R/3RQN-Y2F/3RQN-Y2F_ligand.pdbqt | data/3R/3RQN-Y2F/3RQN-Y2F_target.pdbqt | data/3R/3RQN-Y2F/3RQN-Y2F_decoys.pdbqt | data/3R/3RQN-Y2F/3RQN-Y2F_decoy_scores.csv |
3RKZ-06T | data/3R/3RKZ-06T/3RKZ-06T_ligand.pdbqt | data/3R/3RKZ-06T/3RKZ-06T_target.pdbqt | data/3R/3RKZ-06T/3RKZ-06T_decoys.pdbqt | data/3R/3RKZ-06T/3RKZ-06T_decoy_scores.csv |
3RS8-APR | data/3R/3RS8-APR/3RS8-APR_ligand.pdbqt | data/3R/3RS8-APR/3RS8-APR_target.pdbqt | data/3R/3RS8-APR/3RS8-APR_decoys.pdbqt | data/3R/3RS8-APR/3RS8-APR_decoy_scores.csv |
3RUX-BS5 | data/3R/3RUX-BS5/3RUX-BS5_ligand.pdbqt | data/3R/3RUX-BS5/3RUX-BS5_target.pdbqt | data/3R/3RUX-BS5/3RUX-BS5_decoys.pdbqt | data/3R/3RUX-BS5/3RUX-BS5_decoy_scores.csv |
3ROC-29B | data/3R/3ROC-29B/3ROC-29B_ligand.pdbqt | data/3R/3ROC-29B/3ROC-29B_target.pdbqt | data/3R/3ROC-29B/3ROC-29B_decoys.pdbqt | data/3R/3ROC-29B/3ROC-29B_decoy_scores.csv |
3RXW-SR3 | data/3R/3RXW-SR3/3RXW-SR3_ligand.pdbqt | data/3R/3RXW-SR3/3RXW-SR3_target.pdbqt | data/3R/3RXW-SR3/3RXW-SR3_decoys.pdbqt | data/3R/3RXW-SR3/3RXW-SR3_decoy_scores.csv |
3R7X-QSN | data/3R/3R7X-QSN/3R7X-QSN_ligand.pdbqt | data/3R/3R7X-QSN/3R7X-QSN_target.pdbqt | data/3R/3R7X-QSN/3R7X-QSN_decoys.pdbqt | data/3R/3R7X-QSN/3R7X-QSN_decoy_scores.csv |
3RX3-SUZ | data/3R/3RX3-SUZ/3RX3-SUZ_ligand.pdbqt | data/3R/3RX3-SUZ/3RX3-SUZ_target.pdbqt | data/3R/3RX3-SUZ/3RX3-SUZ_decoys.pdbqt | data/3R/3RX3-SUZ/3RX3-SUZ_decoy_scores.csv |
3RCL-P4C | data/3R/3RCL-P4C/3RCL-P4C_ligand.pdbqt | data/3R/3RCL-P4C/3RCL-P4C_target.pdbqt | data/3R/3RCL-P4C/3RCL-P4C_decoys.pdbqt | data/3R/3RCL-P4C/3RCL-P4C_decoy_scores.csv |
3RTB-A3P | data/3R/3RTB-A3P/3RTB-A3P_ligand.pdbqt | data/3R/3RTB-A3P/3RTB-A3P_target.pdbqt | data/3R/3RTB-A3P/3RTB-A3P_decoys.pdbqt | data/3R/3RTB-A3P/3RTB-A3P_decoy_scores.csv |
3R00-UNJ | data/3R/3R00-UNJ/3R00-UNJ_ligand.pdbqt | data/3R/3R00-UNJ/3R00-UNJ_target.pdbqt | data/3R/3R00-UNJ/3R00-UNJ_decoys.pdbqt | data/3R/3R00-UNJ/3R00-UNJ_decoy_scores.csv |
3RQK-X2C | data/3R/3RQK-X2C/3RQK-X2C_ligand.pdbqt | data/3R/3RQK-X2C/3RQK-X2C_target.pdbqt | data/3R/3RQK-X2C/3RQK-X2C_decoys.pdbqt | data/3R/3RQK-X2C/3RQK-X2C_decoy_scores.csv |
3RZI-TRP | data/3R/3RZI-TRP/3RZI-TRP_ligand.pdbqt | data/3R/3RZI-TRP/3RZI-TRP_target.pdbqt | data/3R/3RZI-TRP/3RZI-TRP_decoys.pdbqt | data/3R/3RZI-TRP/3RZI-TRP_decoy_scores.csv |
3R3A-PHB | data/3R/3R3A-PHB/3R3A-PHB_ligand.pdbqt | data/3R/3R3A-PHB/3R3A-PHB_target.pdbqt | data/3R/3R3A-PHB/3R3A-PHB_decoys.pdbqt | data/3R/3R3A-PHB/3R3A-PHB_decoy_scores.csv |
3RXQ-BEN | data/3R/3RXQ-BEN/3RXQ-BEN_ligand.pdbqt | data/3R/3RXQ-BEN/3RXQ-BEN_target.pdbqt | data/3R/3RXQ-BEN/3RXQ-BEN_decoys.pdbqt | data/3R/3RXQ-BEN/3RXQ-BEN_decoy_scores.csv |
3RE4-TO1 | data/3R/3RE4-TO1/3RE4-TO1_ligand.pdbqt | data/3R/3RE4-TO1/3RE4-TO1_target.pdbqt | data/3R/3RE4-TO1/3RE4-TO1_decoys.pdbqt | data/3R/3RE4-TO1/3RE4-TO1_decoy_scores.csv |
3R73-X87 | data/3R/3R73-X87/3R73-X87_ligand.pdbqt | data/3R/3R73-X87/3R73-X87_target.pdbqt | data/3R/3R73-X87/3R73-X87_decoys.pdbqt | data/3R/3R73-X87/3R73-X87_decoy_scores.csv |
3RPO-24Z | data/3R/3RPO-24Z/3RPO-24Z_ligand.pdbqt | data/3R/3RPO-24Z/3RPO-24Z_target.pdbqt | data/3R/3RPO-24Z/3RPO-24Z_decoys.pdbqt | data/3R/3RPO-24Z/3RPO-24Z_decoy_scores.csv |
3R28-XA0 | data/3R/3R28-XA0/3R28-XA0_ligand.pdbqt | data/3R/3R28-XA0/3R28-XA0_target.pdbqt | data/3R/3R28-XA0/3R28-XA0_decoys.pdbqt | data/3R/3R28-XA0/3R28-XA0_decoy_scores.csv |
3ROA-06V | data/3R/3ROA-06V/3ROA-06V_ligand.pdbqt | data/3R/3ROA-06V/3ROA-06V_target.pdbqt | data/3R/3ROA-06V/3ROA-06V_decoys.pdbqt | data/3R/3ROA-06V/3ROA-06V_decoy_scores.csv |
3RXJ-GBS | data/3R/3RXJ-GBS/3RXJ-GBS_ligand.pdbqt | data/3R/3RXJ-GBS/3RXJ-GBS_target.pdbqt | data/3R/3RXJ-GBS/3RXJ-GBS_decoys.pdbqt | data/3R/3RXJ-GBS/3RXJ-GBS_decoy_scores.csv |
3RGQ-5P5 | data/3R/3RGQ-5P5/3RGQ-5P5_ligand.pdbqt | data/3R/3RGQ-5P5/3RGQ-5P5_target.pdbqt | data/3R/3RGQ-5P5/3RGQ-5P5_decoys.pdbqt | data/3R/3RGQ-5P5/3RGQ-5P5_decoy_scores.csv |
3RJ9-NAD | data/3R/3RJ9-NAD/3RJ9-NAD_ligand.pdbqt | data/3R/3RJ9-NAD/3RJ9-NAD_target.pdbqt | data/3R/3RJ9-NAD/3RJ9-NAD_decoys.pdbqt | data/3R/3RJ9-NAD/3RJ9-NAD_decoy_scores.csv |
3RSC-TYD | data/3R/3RSC-TYD/3RSC-TYD_ligand.pdbqt | data/3R/3RSC-TYD/3RSC-TYD_target.pdbqt | data/3R/3RSC-TYD/3RSC-TYD_decoys.pdbqt | data/3R/3RSC-TYD/3RSC-TYD_decoy_scores.csv |
3RYC-GDP | data/3R/3RYC-GDP/3RYC-GDP_ligand.pdbqt | data/3R/3RYC-GDP/3RYC-GDP_target.pdbqt | data/3R/3RYC-GDP/3RYC-GDP_decoys.pdbqt | data/3R/3RYC-GDP/3RYC-GDP_decoy_scores.csv |
3RV8-RVC | data/3R/3RV8-RVC/3RV8-RVC_ligand.pdbqt | data/3R/3RV8-RVC/3RV8-RVC_target.pdbqt | data/3R/3RV8-RVC/3RV8-RVC_decoys.pdbqt | data/3R/3RV8-RVC/3RV8-RVC_decoy_scores.csv |
3RLY-S29 | data/3R/3RLY-S29/3RLY-S29_ligand.pdbqt | data/3R/3RLY-S29/3RLY-S29_target.pdbqt | data/3R/3RLY-S29/3RLY-S29_decoys.pdbqt | data/3R/3RLY-S29/3RLY-S29_decoy_scores.csv |
3R17-5UM | data/3R/3R17-5UM/3R17-5UM_ligand.pdbqt | data/3R/3R17-5UM/3R17-5UM_target.pdbqt | data/3R/3R17-5UM/3R17-5UM_decoys.pdbqt | data/3R/3R17-5UM/3R17-5UM_decoy_scores.csv |
3RPL-FBP | data/3R/3RPL-FBP/3RPL-FBP_ligand.pdbqt | data/3R/3RPL-FBP/3RPL-FBP_target.pdbqt | data/3R/3RPL-FBP/3RPL-FBP_decoys.pdbqt | data/3R/3RPL-FBP/3RPL-FBP_decoy_scores.csv |
3RRE-ADP | data/3R/3RRE-ADP/3RRE-ADP_ligand.pdbqt | data/3R/3RRE-ADP/3RRE-ADP_target.pdbqt | data/3R/3RRE-ADP/3RRE-ADP_decoys.pdbqt | data/3R/3RRE-ADP/3RRE-ADP_decoy_scores.csv |
3RGN-C8E | data/3R/3RGN-C8E/3RGN-C8E_ligand.pdbqt | data/3R/3RGN-C8E/3RGN-C8E_target.pdbqt | data/3R/3RGN-C8E/3RGN-C8E_decoys.pdbqt | data/3R/3RGN-C8E/3RGN-C8E_decoy_scores.csv |
3RZP-PRF | data/3R/3RZP-PRF/3RZP-PRF_ligand.pdbqt | data/3R/3RZP-PRF/3RZP-PRF_target.pdbqt | data/3R/3RZP-PRF/3RZP-PRF_decoys.pdbqt | data/3R/3RZP-PRF/3RZP-PRF_decoy_scores.csv |
3RF7-NAD | data/3R/3RF7-NAD/3RF7-NAD_ligand.pdbqt | data/3R/3RF7-NAD/3RF7-NAD_target.pdbqt | data/3R/3RF7-NAD/3RF7-NAD_decoys.pdbqt | data/3R/3RF7-NAD/3RF7-NAD_decoy_scores.csv |
3RM9-613 | data/3R/3RM9-613/3RM9-613_ligand.pdbqt | data/3R/3RM9-613/3RM9-613_target.pdbqt | data/3R/3RM9-613/3RM9-613_decoys.pdbqt | data/3R/3RM9-613/3RM9-613_decoy_scores.csv |
3R1Q-X75 | data/3R/3R1Q-X75/3R1Q-X75_ligand.pdbqt | data/3R/3R1Q-X75/3R1Q-X75_target.pdbqt | data/3R/3R1Q-X75/3R1Q-X75_decoys.pdbqt | data/3R/3R1Q-X75/3R1Q-X75_decoy_scores.csv |
3RLJ-RLJ | data/3R/3RLJ-RLJ/3RLJ-RLJ_ligand.pdbqt | data/3R/3RLJ-RLJ/3RLJ-RLJ_target.pdbqt | data/3R/3RLJ-RLJ/3RLJ-RLJ_decoys.pdbqt | data/3R/3RLJ-RLJ/3RLJ-RLJ_decoy_scores.csv |
3R9O-Z71 | data/3R/3R9O-Z71/3R9O-Z71_ligand.pdbqt | data/3R/3R9O-Z71/3R9O-Z71_target.pdbqt | data/3R/3R9O-Z71/3R9O-Z71_decoys.pdbqt | data/3R/3R9O-Z71/3R9O-Z71_decoy_scores.csv |
3RUV-ANP | data/3R/3RUV-ANP/3RUV-ANP_ligand.pdbqt | data/3R/3RUV-ANP/3RUV-ANP_target.pdbqt | data/3R/3RUV-ANP/3RUV-ANP_decoys.pdbqt | data/3R/3RUV-ANP/3RUV-ANP_decoy_scores.csv |
3RLL-RLL | data/3R/3RLL-RLL/3RLL-RLL_ligand.pdbqt | data/3R/3RLL-RLL/3RLL-RLL_target.pdbqt | data/3R/3RLL-RLL/3RLL-RLL_decoys.pdbqt | data/3R/3RLL-RLL/3RLL-RLL_decoy_scores.csv |
3R1Z-GLU | data/3R/3R1Z-GLU/3R1Z-GLU_ligand.pdbqt | data/3R/3R1Z-GLU/3R1Z-GLU_target.pdbqt | data/3R/3R1Z-GLU/3R1Z-GLU_decoys.pdbqt | data/3R/3R1Z-GLU/3R1Z-GLU_decoy_scores.csv |
3RGA-LSB | data/3R/3RGA-LSB/3RGA-LSB_ligand.pdbqt | data/3R/3RGA-LSB/3RGA-LSB_target.pdbqt | data/3R/3RGA-LSB/3RGA-LSB_decoys.pdbqt | data/3R/3RGA-LSB/3RGA-LSB_decoy_scores.csv |
3RIE-MTA | data/3R/3RIE-MTA/3RIE-MTA_ligand.pdbqt | data/3R/3RIE-MTA/3RIE-MTA_target.pdbqt | data/3R/3RIE-MTA/3RIE-MTA_decoys.pdbqt | data/3R/3RIE-MTA/3RIE-MTA_decoy_scores.csv |
3RG9-WRA | data/3R/3RG9-WRA/3RG9-WRA_ligand.pdbqt | data/3R/3RG9-WRA/3RG9-WRA_target.pdbqt | data/3R/3RG9-WRA/3RG9-WRA_decoys.pdbqt | data/3R/3RG9-WRA/3RG9-WRA_decoy_scores.csv |
3RAP-GTP | data/3R/3RAP-GTP/3RAP-GTP_ligand.pdbqt | data/3R/3RAP-GTP/3RAP-GTP_target.pdbqt | data/3R/3RAP-GTP/3RAP-GTP_decoys.pdbqt | data/3R/3RAP-GTP/3RAP-GTP_decoy_scores.csv |
3RFV-15L | data/3R/3RFV-15L/3RFV-15L_ligand.pdbqt | data/3R/3RFV-15L/3RFV-15L_target.pdbqt | data/3R/3RFV-15L/3RFV-15L_decoys.pdbqt | data/3R/3RFV-15L/3RFV-15L_decoy_scores.csv |
3REU-ATP | data/3R/3REU-ATP/3REU-ATP_ligand.pdbqt | data/3R/3REU-ATP/3REU-ATP_target.pdbqt | data/3R/3REU-ATP/3REU-ATP_decoys.pdbqt | data/3R/3REU-ATP/3REU-ATP_decoy_scores.csv |
3R1O-PLM | data/3R/3R1O-PLM/3R1O-PLM_ligand.pdbqt | data/3R/3R1O-PLM/3R1O-PLM_target.pdbqt | data/3R/3R1O-PLM/3R1O-PLM_decoys.pdbqt | data/3R/3R1O-PLM/3R1O-PLM_decoy_scores.csv |
3REG-GSP | data/3R/3REG-GSP/3REG-GSP_ligand.pdbqt | data/3R/3REG-GSP/3REG-GSP_target.pdbqt | data/3R/3REG-GSP/3REG-GSP_decoys.pdbqt | data/3R/3REG-GSP/3REG-GSP_decoy_scores.csv |
3R5N-MLO | data/3R/3R5N-MLO/3R5N-MLO_ligand.pdbqt | data/3R/3R5N-MLO/3R5N-MLO_target.pdbqt | data/3R/3R5N-MLO/3R5N-MLO_decoys.pdbqt | data/3R/3R5N-MLO/3R5N-MLO_decoy_scores.csv |
3RTD-ADP | data/3R/3RTD-ADP/3RTD-ADP_ligand.pdbqt | data/3R/3RTD-ADP/3RTD-ADP_target.pdbqt | data/3R/3RTD-ADP/3RTD-ADP_decoys.pdbqt | data/3R/3RTD-ADP/3RTD-ADP_decoy_scores.csv |
3RWB-4PL | data/3R/3RWB-4PL/3RWB-4PL_ligand.pdbqt | data/3R/3RWB-4PL/3RWB-4PL_target.pdbqt | data/3R/3RWB-4PL/3RWB-4PL_decoys.pdbqt | data/3R/3RWB-4PL/3RWB-4PL_decoy_scores.csv |
3RS3-GNP | data/3R/3RS3-GNP/3RS3-GNP_ligand.pdbqt | data/3R/3RS3-GNP/3RS3-GNP_target.pdbqt | data/3R/3RS3-GNP/3RS3-GNP_decoys.pdbqt | data/3R/3RS3-GNP/3RS3-GNP_decoy_scores.csv |
3RFA-SAM | data/3R/3RFA-SAM/3RFA-SAM_ligand.pdbqt | data/3R/3RFA-SAM/3RFA-SAM_target.pdbqt | data/3R/3RFA-SAM/3RFA-SAM_decoys.pdbqt | data/3R/3RFA-SAM/3RFA-SAM_decoy_scores.csv |
3R8I-XCX | data/3R/3R8I-XCX/3R8I-XCX_ligand.pdbqt | data/3R/3R8I-XCX/3R8I-XCX_target.pdbqt | data/3R/3R8I-XCX/3R8I-XCX_decoys.pdbqt | data/3R/3R8I-XCX/3R8I-XCX_decoy_scores.csv |
3RM2-S00 | data/3R/3RM2-S00/3RM2-S00_ligand.pdbqt | data/3R/3RM2-S00/3RM2-S00_target.pdbqt | data/3R/3RM2-S00/3RM2-S00_decoys.pdbqt | data/3R/3RM2-S00/3RM2-S00_decoy_scores.csv |
3RDH-3RD | data/3R/3RDH-3RD/3RDH-3RD_ligand.pdbqt | data/3R/3RDH-3RD/3RDH-3RD_target.pdbqt | data/3R/3RDH-3RD/3RDH-3RD_decoys.pdbqt | data/3R/3RDH-3RD/3RDH-3RD_decoy_scores.csv |
3RYV-RYV | data/3R/3RYV-RYV/3RYV-RYV_ligand.pdbqt | data/3R/3RYV-RYV/3RYV-RYV_target.pdbqt | data/3R/3RYV-RYV/3RYV-RYV_decoys.pdbqt | data/3R/3RYV-RYV/3RYV-RYV_decoy_scores.csv |
3RAK-03Z | data/3R/3RAK-03Z/3RAK-03Z_ligand.pdbqt | data/3R/3RAK-03Z/3RAK-03Z_target.pdbqt | data/3R/3RAK-03Z/3RAK-03Z_decoys.pdbqt | data/3R/3RAK-03Z/3RAK-03Z_decoy_scores.csv |
3R0T-FU9 | data/3R/3R0T-FU9/3R0T-FU9_ligand.pdbqt | data/3R/3R0T-FU9/3R0T-FU9_target.pdbqt | data/3R/3R0T-FU9/3R0T-FU9_decoys.pdbqt | data/3R/3R0T-FU9/3R0T-FU9_decoy_scores.csv |
3RD9-MSY | data/3R/3RD9-MSY/3RD9-MSY_ligand.pdbqt | data/3R/3RD9-MSY/3RD9-MSY_target.pdbqt | data/3R/3RD9-MSY/3RD9-MSY_decoys.pdbqt | data/3R/3RD9-MSY/3RD9-MSY_decoy_scores.csv |
3R6W-FMN | data/3R/3R6W-FMN/3R6W-FMN_ligand.pdbqt | data/3R/3R6W-FMN/3R6W-FMN_target.pdbqt | data/3R/3R6W-FMN/3R6W-FMN_decoys.pdbqt | data/3R/3R6W-FMN/3R6W-FMN_decoy_scores.csv |
3R52-GYP | data/3R/3R52-GYP/3R52-GYP_ligand.pdbqt | data/3R/3R52-GYP/3R52-GYP_target.pdbqt | data/3R/3R52-GYP/3R52-GYP_decoys.pdbqt | data/3R/3R52-GYP/3R52-GYP_decoy_scores.csv |
3RZB-02Z | data/3R/3RZB-02Z/3RZB-02Z_ligand.pdbqt | data/3R/3RZB-02Z/3RZB-02Z_target.pdbqt | data/3R/3RZB-02Z/3RZB-02Z_decoys.pdbqt | data/3R/3RZB-02Z/3RZB-02Z_decoy_scores.csv |
3RJY-GLC | data/3R/3RJY-GLC/3RJY-GLC_ligand.pdbqt | data/3R/3RJY-GLC/3RJY-GLC_target.pdbqt | data/3R/3RJY-GLC/3RJY-GLC_decoys.pdbqt | data/3R/3RJY-GLC/3RJY-GLC_decoy_scores.csv |
3R8U-Z31 | data/3R/3R8U-Z31/3R8U-Z31_ligand.pdbqt | data/3R/3R8U-Z31/3R8U-Z31_target.pdbqt | data/3R/3R8U-Z31/3R8U-Z31_decoys.pdbqt | data/3R/3R8U-Z31/3R8U-Z31_decoy_scores.csv |
3RXT-SZ4 | data/3R/3RXT-SZ4/3RXT-SZ4_ligand.pdbqt | data/3R/3RXT-SZ4/3RXT-SZ4_target.pdbqt | data/3R/3RXT-SZ4/3RXT-SZ4_decoys.pdbqt | data/3R/3RXT-SZ4/3RXT-SZ4_decoy_scores.csv |
3RPY-27Z | data/3R/3RPY-27Z/3RPY-27Z_ligand.pdbqt | data/3R/3RPY-27Z/3RPY-27Z_target.pdbqt | data/3R/3RPY-27Z/3RPY-27Z_decoys.pdbqt | data/3R/3RPY-27Z/3RPY-27Z_decoy_scores.csv |
3RTW-NWD | data/3R/3RTW-NWD/3RTW-NWD_ligand.pdbqt | data/3R/3RTW-NWD/3RTW-NWD_target.pdbqt | data/3R/3RTW-NWD/3RTW-NWD_decoys.pdbqt | data/3R/3RTW-NWD/3RTW-NWD_decoy_scores.csv |
3RYP-CMP | data/3R/3RYP-CMP/3RYP-CMP_ligand.pdbqt | data/3R/3RYP-CMP/3RYP-CMP_target.pdbqt | data/3R/3RYP-CMP/3RYP-CMP_decoys.pdbqt | data/3R/3RYP-CMP/3RYP-CMP_decoy_scores.csv |
3RVH-HQ2 | data/3R/3RVH-HQ2/3RVH-HQ2_ligand.pdbqt | data/3R/3RVH-HQ2/3RVH-HQ2_target.pdbqt | data/3R/3RVH-HQ2/3RVH-HQ2_decoys.pdbqt | data/3R/3RVH-HQ2/3RVH-HQ2_decoy_scores.csv |
3R36-PHB | data/3R/3R36-PHB/3R36-PHB_ligand.pdbqt | data/3R/3R36-PHB/3R36-PHB_target.pdbqt | data/3R/3R36-PHB/3R36-PHB_decoys.pdbqt | data/3R/3R36-PHB/3R36-PHB_decoy_scores.csv |
3RGT-EZ4 | data/3R/3RGT-EZ4/3RGT-EZ4_ligand.pdbqt | data/3R/3RGT-EZ4/3RGT-EZ4_target.pdbqt | data/3R/3RGT-EZ4/3RGT-EZ4_decoys.pdbqt | data/3R/3RGT-EZ4/3RGT-EZ4_decoy_scores.csv |
3RKW-BT5 | data/3R/3RKW-BT5/3RKW-BT5_ligand.pdbqt | data/3R/3RKW-BT5/3RKW-BT5_target.pdbqt | data/3R/3RKW-BT5/3RKW-BT5_decoys.pdbqt | data/3R/3RKW-BT5/3RKW-BT5_decoy_scores.csv |
3RTT-KLH | data/3R/3RTT-KLH/3RTT-KLH_ligand.pdbqt | data/3R/3RTT-KLH/3RTT-KLH_target.pdbqt | data/3R/3RTT-KLH/3RTT-KLH_decoys.pdbqt | data/3R/3RTT-KLH/3RTT-KLH_decoy_scores.csv |
3RF4-FUN | data/3R/3RF4-FUN/3RF4-FUN_ligand.pdbqt | data/3R/3RF4-FUN/3RF4-FUN_target.pdbqt | data/3R/3RF4-FUN/3RF4-FUN_decoys.pdbqt | data/3R/3RF4-FUN/3RF4-FUN_decoy_scores.csv |
3RTC-NAD | data/3R/3RTC-NAD/3RTC-NAD_ligand.pdbqt | data/3R/3RTC-NAD/3RTC-NAD_target.pdbqt | data/3R/3RTC-NAD/3RTC-NAD_decoys.pdbqt | data/3R/3RTC-NAD/3RTC-NAD_decoy_scores.csv |
3RSV-3RS | data/3R/3RSV-3RS/3RSV-3RS_ligand.pdbqt | data/3R/3RSV-3RS/3RSV-3RS_target.pdbqt | data/3R/3RSV-3RS/3RSV-3RS_decoys.pdbqt | data/3R/3RSV-3RS/3RSV-3RS_decoy_scores.csv |
3R8A-HIG | data/3R/3R8A-HIG/3R8A-HIG_ligand.pdbqt | data/3R/3R8A-HIG/3R8A-HIG_target.pdbqt | data/3R/3R8A-HIG/3R8A-HIG_decoys.pdbqt | data/3R/3R8A-HIG/3R8A-HIG_decoy_scores.csv |
3R96-AMP | data/3R/3R96-AMP/3R96-AMP_ligand.pdbqt | data/3R/3R96-AMP/3R96-AMP_target.pdbqt | data/3R/3R96-AMP/3R96-AMP_decoys.pdbqt | data/3R/3R96-AMP/3R96-AMP_decoy_scores.csv |
3RGL-ATP | data/3R/3RGL-ATP/3RGL-ATP_ligand.pdbqt | data/3R/3RGL-ATP/3RGL-ATP_target.pdbqt | data/3R/3RGL-ATP/3RGL-ATP_decoys.pdbqt | data/3R/3RGL-ATP/3RGL-ATP_decoy_scores.csv |
3RSO-GNP | data/3R/3RSO-GNP/3RSO-GNP_ligand.pdbqt | data/3R/3RSO-GNP/3RSO-GNP_target.pdbqt | data/3R/3RSO-GNP/3RSO-GNP_decoys.pdbqt | data/3R/3RSO-GNP/3RSO-GNP_decoy_scores.csv |
3RXB-ALG | data/3R/3RXB-ALG/3RXB-ALG_ligand.pdbqt | data/3R/3RXB-ALG/3RXB-ALG_target.pdbqt | data/3R/3RXB-ALG/3RXB-ALG_decoys.pdbqt | data/3R/3RXB-ALG/3RXB-ALG_decoy_scores.csv |
3RWB-NAD | data/3R/3RWB-NAD/3RWB-NAD_ligand.pdbqt | data/3R/3RWB-NAD/3RWB-NAD_target.pdbqt | data/3R/3RWB-NAD/3RWB-NAD_decoys.pdbqt | data/3R/3RWB-NAD/3RWB-NAD_decoy_scores.csv |
3RX4-SFI | data/3R/3RX4-SFI/3RX4-SFI_ligand.pdbqt | data/3R/3RX4-SFI/3RX4-SFI_target.pdbqt | data/3R/3RX4-SFI/3RX4-SFI_decoys.pdbqt | data/3R/3RX4-SFI/3RX4-SFI_decoy_scores.csv |
3RDB-P4C | data/3R/3RDB-P4C/3RDB-P4C_ligand.pdbqt | data/3R/3RDB-P4C/3RDB-P4C_target.pdbqt | data/3R/3RDB-P4C/3RDB-P4C_decoys.pdbqt | data/3R/3RDB-P4C/3RDB-P4C_decoy_scores.csv |
3RK9-09Z | data/3R/3RK9-09Z/3RK9-09Z_ligand.pdbqt | data/3R/3RK9-09Z/3RK9-09Z_target.pdbqt | data/3R/3RK9-09Z/3RK9-09Z_decoys.pdbqt | data/3R/3RK9-09Z/3RK9-09Z_decoy_scores.csv |
3RL3-5GP | data/3R/3RL3-5GP/3RL3-5GP_ligand.pdbqt | data/3R/3RL3-5GP/3RL3-5GP_target.pdbqt | data/3R/3RL3-5GP/3RL3-5GP_decoys.pdbqt | data/3R/3RL3-5GP/3RL3-5GP_decoy_scores.csv |
3RNM-NHE | data/3R/3RNM-NHE/3RNM-NHE_ligand.pdbqt | data/3R/3RNM-NHE/3RNM-NHE_target.pdbqt | data/3R/3RNM-NHE/3RNM-NHE_decoys.pdbqt | data/3R/3RNM-NHE/3RNM-NHE_decoy_scores.csv |
3REO-SAH | data/3R/3REO-SAH/3REO-SAH_ligand.pdbqt | data/3R/3REO-SAH/3REO-SAH_target.pdbqt | data/3R/3REO-SAH/3REO-SAH_decoys.pdbqt | data/3R/3REO-SAH/3REO-SAH_decoy_scores.csv |
3RLI-PMS | data/3R/3RLI-PMS/3RLI-PMS_ligand.pdbqt | data/3R/3RLI-PMS/3RLI-PMS_target.pdbqt | data/3R/3RLI-PMS/3RLI-PMS_decoys.pdbqt | data/3R/3RLI-PMS/3RLI-PMS_decoy_scores.csv |
3RMM-M32 | data/3R/3RMM-M32/3RMM-M32_ligand.pdbqt | data/3R/3RMM-M32/3RMM-M32_target.pdbqt | data/3R/3RMM-M32/3RMM-M32_decoys.pdbqt | data/3R/3RMM-M32/3RMM-M32_decoy_scores.csv |
3RXE-BEN | data/3R/3RXE-BEN/3RXE-BEN_ligand.pdbqt | data/3R/3RXE-BEN/3RXE-BEN_target.pdbqt | data/3R/3RXE-BEN/3RXE-BEN_decoys.pdbqt | data/3R/3RXE-BEN/3RXE-BEN_decoy_scores.csv |
3RCF-BS4 | data/3R/3RCF-BS4/3RCF-BS4_ligand.pdbqt | data/3R/3RCF-BS4/3RCF-BS4_target.pdbqt | data/3R/3RCF-BS4/3RCF-BS4_decoys.pdbqt | data/3R/3RCF-BS4/3RCF-BS4_decoy_scores.csv |
3RMN-M41 | data/3R/3RMN-M41/3RMN-M41_ligand.pdbqt | data/3R/3RMN-M41/3RMN-M41_target.pdbqt | data/3R/3RMN-M41/3RMN-M41_decoys.pdbqt | data/3R/3RMN-M41/3RMN-M41_decoy_scores.csv |
3RS0-GNP | data/3R/3RS0-GNP/3RS0-GNP_ligand.pdbqt | data/3R/3RS0-GNP/3RS0-GNP_target.pdbqt | data/3R/3RS0-GNP/3RS0-GNP_decoys.pdbqt | data/3R/3RS0-GNP/3RS0-GNP_decoy_scores.csv |
3RI1-3RH | data/3R/3RI1-3RH/3RI1-3RH_ligand.pdbqt | data/3R/3RI1-3RH/3RI1-3RH_target.pdbqt | data/3R/3RI1-3RH/3RI1-3RH_decoys.pdbqt | data/3R/3RI1-3RH/3RI1-3RH_decoy_scores.csv |
3R7Y-Z04 | data/3R/3R7Y-Z04/3R7Y-Z04_ligand.pdbqt | data/3R/3R7Y-Z04/3R7Y-Z04_target.pdbqt | data/3R/3R7Y-Z04/3R7Y-Z04_decoys.pdbqt | data/3R/3R7Y-Z04/3R7Y-Z04_decoy_scores.csv |
3R5F-ATP | data/3R/3R5F-ATP/3R5F-ATP_ligand.pdbqt | data/3R/3R5F-ATP/3R5F-ATP_target.pdbqt | data/3R/3R5F-ATP/3R5F-ATP_decoys.pdbqt | data/3R/3R5F-ATP/3R5F-ATP_decoy_scores.csv |
3RNI-21Z | data/3R/3RNI-21Z/3RNI-21Z_ligand.pdbqt | data/3R/3RNI-21Z/3RNI-21Z_target.pdbqt | data/3R/3RNI-21Z/3RNI-21Z_decoys.pdbqt | data/3R/3RNI-21Z/3RNI-21Z_decoy_scores.csv |
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