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 ⌀ |
|---|---|---|---|---|
5SMA-NZD | data/5S/5SMA-NZD/5SMA-NZD_ligand.pdbqt | data/5S/5SMA-NZD/5SMA-NZD_target.pdbqt | data/5S/5SMA-NZD/5SMA-NZD_decoys.pdbqt | data/5S/5SMA-NZD/5SMA-NZD_decoy_scores.csv |
5SAD-EJW | data/5S/5SAD-EJW/5SAD-EJW_ligand.pdbqt | data/5S/5SAD-EJW/5SAD-EJW_target.pdbqt | data/5S/5SAD-EJW/5SAD-EJW_decoys.pdbqt | data/5S/5SAD-EJW/5SAD-EJW_decoy_scores.csv |
5S4S-GTP | data/5S/5S4S-GTP/5S4S-GTP_ligand.pdbqt | data/5S/5S4S-GTP/5S4S-GTP_target.pdbqt | data/5S/5S4S-GTP/5S4S-GTP_decoys.pdbqt | data/5S/5S4S-GTP/5S4S-GTP_decoy_scores.csv |
5SL0-B0V | data/5S/5SL0-B0V/5SL0-B0V_ligand.pdbqt | data/5S/5SL0-B0V/5SL0-B0V_target.pdbqt | data/5S/5SL0-B0V/5SL0-B0V_decoys.pdbqt | data/5S/5SL0-B0V/5SL0-B0V_decoy_scores.csv |
5SLC-U1V | data/5S/5SLC-U1V/5SLC-U1V_ligand.pdbqt | data/5S/5SLC-U1V/5SLC-U1V_target.pdbqt | data/5S/5SLC-U1V/5SLC-U1V_decoys.pdbqt | data/5S/5SLC-U1V/5SLC-U1V_decoy_scores.csv |
5SGR-IYK | data/5S/5SGR-IYK/5SGR-IYK_ligand.pdbqt | data/5S/5SGR-IYK/5SGR-IYK_target.pdbqt | data/5S/5SGR-IYK/5SGR-IYK_decoys.pdbqt | data/5S/5SGR-IYK/5SGR-IYK_decoy_scores.csv |
5SDZ-IB7 | data/5S/5SDZ-IB7/5SDZ-IB7_ligand.pdbqt | data/5S/5SDZ-IB7/5SDZ-IB7_target.pdbqt | data/5S/5SDZ-IB7/5SDZ-IB7_decoys.pdbqt | data/5S/5SDZ-IB7/5SDZ-IB7_decoy_scores.csv |
5S4R-GDP | data/5S/5S4R-GDP/5S4R-GDP_ligand.pdbqt | data/5S/5S4R-GDP/5S4R-GDP_target.pdbqt | data/5S/5S4R-GDP/5S4R-GDP_decoys.pdbqt | data/5S/5S4R-GDP/5S4R-GDP_decoy_scores.csv |
5SEU-IHL | data/5S/5SEU-IHL/5SEU-IHL_ligand.pdbqt | data/5S/5SEU-IHL/5SEU-IHL_target.pdbqt | data/5S/5SEU-IHL/5SEU-IHL_decoys.pdbqt | data/5S/5SEU-IHL/5SEU-IHL_decoy_scores.csv |
5SDB-G3V | data/5S/5SDB-G3V/5SDB-G3V_ligand.pdbqt | data/5S/5SDB-G3V/5SDB-G3V_target.pdbqt | data/5S/5SDB-G3V/5SDB-G3V_decoys.pdbqt | data/5S/5SDB-G3V/5SDB-G3V_decoy_scores.csv |
5SBC-GTP | data/5S/5SBC-GTP/5SBC-GTP_ligand.pdbqt | data/5S/5SBC-GTP/5SBC-GTP_target.pdbqt | data/5S/5SBC-GTP/5SBC-GTP_decoys.pdbqt | data/5S/5SBC-GTP/5SBC-GTP_decoy_scores.csv |
5SGB-IWG | data/5S/5SGB-IWG/5SGB-IWG_ligand.pdbqt | data/5S/5SGB-IWG/5SGB-IWG_target.pdbqt | data/5S/5SGB-IWG/5SGB-IWG_decoys.pdbqt | data/5S/5SGB-IWG/5SGB-IWG_decoy_scores.csv |
5S7A-LU8 | data/5S/5S7A-LU8/5S7A-LU8_ligand.pdbqt | data/5S/5S7A-LU8/5S7A-LU8_target.pdbqt | data/5S/5S7A-LU8/5S7A-LU8_decoys.pdbqt | data/5S/5S7A-LU8/5S7A-LU8_decoy_scores.csv |
5SL5-WNV | data/5S/5SL5-WNV/5SL5-WNV_ligand.pdbqt | data/5S/5SL5-WNV/5SL5-WNV_target.pdbqt | data/5S/5SL5-WNV/5SL5-WNV_decoys.pdbqt | data/5S/5SL5-WNV/5SL5-WNV_decoy_scores.csv |
5SUE-WA8 | data/5S/5SUE-WA8/5SUE-WA8_ligand.pdbqt | data/5S/5SUE-WA8/5SUE-WA8_target.pdbqt | data/5S/5SUE-WA8/5SUE-WA8_decoys.pdbqt | data/5S/5SUE-WA8/5SUE-WA8_decoy_scores.csv |
5S5F-GDP | data/5S/5S5F-GDP/5S5F-GDP_ligand.pdbqt | data/5S/5S5F-GDP/5S5F-GDP_target.pdbqt | data/5S/5S5F-GDP/5S5F-GDP_decoys.pdbqt | data/5S/5S5F-GDP/5S5F-GDP_decoy_scores.csv |
5ST6-V0X | data/5S/5ST6-V0X/5ST6-V0X_ligand.pdbqt | data/5S/5ST6-V0X/5ST6-V0X_target.pdbqt | data/5S/5ST6-V0X/5ST6-V0X_decoys.pdbqt | data/5S/5ST6-V0X/5ST6-V0X_decoy_scores.csv |
5SBA-5IJ | data/5S/5SBA-5IJ/5SBA-5IJ_ligand.pdbqt | data/5S/5SBA-5IJ/5SBA-5IJ_target.pdbqt | data/5S/5SBA-5IJ/5SBA-5IJ_decoys.pdbqt | data/5S/5SBA-5IJ/5SBA-5IJ_decoy_scores.csv |
5SBB-GDP | data/5S/5SBB-GDP/5SBB-GDP_ligand.pdbqt | data/5S/5SBB-GDP/5SBB-GDP_target.pdbqt | data/5S/5SBB-GDP/5SBB-GDP_decoys.pdbqt | data/5S/5SBB-GDP/5SBB-GDP_decoy_scores.csv |
5STT-V1U | data/5S/5STT-V1U/5STT-V1U_ligand.pdbqt | data/5S/5STT-V1U/5STT-V1U_target.pdbqt | data/5S/5STT-V1U/5STT-V1U_decoys.pdbqt | data/5S/5STT-V1U/5STT-V1U_decoy_scores.csv |
5S7V-LU8 | data/5S/5S7V-LU8/5S7V-LU8_ligand.pdbqt | data/5S/5S7V-LU8/5S7V-LU8_target.pdbqt | data/5S/5S7V-LU8/5S7V-LU8_decoys.pdbqt | data/5S/5S7V-LU8/5S7V-LU8_decoy_scores.csv |
5S8Q-XLY | data/5S/5S8Q-XLY/5S8Q-XLY_ligand.pdbqt | data/5S/5S8Q-XLY/5S8Q-XLY_target.pdbqt | data/5S/5S8Q-XLY/5S8Q-XLY_decoys.pdbqt | data/5S/5S8Q-XLY/5S8Q-XLY_decoy_scores.csv |
5S65-GDP | data/5S/5S65-GDP/5S65-GDP_ligand.pdbqt | data/5S/5S65-GDP/5S65-GDP_target.pdbqt | data/5S/5S65-GDP/5S65-GDP_decoys.pdbqt | data/5S/5S65-GDP/5S65-GDP_decoy_scores.csv |
5SGY-IZK | data/5S/5SGY-IZK/5SGY-IZK_ligand.pdbqt | data/5S/5SGY-IZK/5SGY-IZK_target.pdbqt | data/5S/5SGY-IZK/5SGY-IZK_decoys.pdbqt | data/5S/5SGY-IZK/5SGY-IZK_decoy_scores.csv |
5SFA-IJW | data/5S/5SFA-IJW/5SFA-IJW_ligand.pdbqt | data/5S/5SFA-IJW/5SFA-IJW_target.pdbqt | data/5S/5SFA-IJW/5SFA-IJW_decoys.pdbqt | data/5S/5SFA-IJW/5SFA-IJW_decoy_scores.csv |
5S75-LU8 | data/5S/5S75-LU8/5S75-LU8_ligand.pdbqt | data/5S/5S75-LU8/5S75-LU8_target.pdbqt | data/5S/5S75-LU8/5S75-LU8_decoys.pdbqt | data/5S/5S75-LU8/5S75-LU8_decoy_scores.csv |
5SGG-IX2 | data/5S/5SGG-IX2/5SGG-IX2_ligand.pdbqt | data/5S/5SGG-IX2/5SGG-IX2_target.pdbqt | data/5S/5SGG-IX2/5SGG-IX2_decoys.pdbqt | data/5S/5SGG-IX2/5SGG-IX2_decoy_scores.csv |
5S7R-LU8 | data/5S/5S7R-LU8/5S7R-LU8_ligand.pdbqt | data/5S/5S7R-LU8/5S7R-LU8_target.pdbqt | data/5S/5S7R-LU8/5S7R-LU8_decoys.pdbqt | data/5S/5S7R-LU8/5S7R-LU8_decoy_scores.csv |
5SCH-I9C | data/5S/5SCH-I9C/5SCH-I9C_ligand.pdbqt | data/5S/5SCH-I9C/5SCH-I9C_target.pdbqt | data/5S/5SCH-I9C/5SCH-I9C_decoys.pdbqt | data/5S/5SCH-I9C/5SCH-I9C_decoy_scores.csv |
5SCC-FBP | data/5S/5SCC-FBP/5SCC-FBP_ligand.pdbqt | data/5S/5SCC-FBP/5SCC-FBP_target.pdbqt | data/5S/5SCC-FBP/5SCC-FBP_decoys.pdbqt | data/5S/5SCC-FBP/5SCC-FBP_decoy_scores.csv |
5SAX-1IM | data/5S/5SAX-1IM/5SAX-1IM_ligand.pdbqt | data/5S/5SAX-1IM/5SAX-1IM_target.pdbqt | data/5S/5SAX-1IM/5SAX-1IM_decoys.pdbqt | data/5S/5SAX-1IM/5SAX-1IM_decoy_scores.csv |
5SCF-FBP | data/5S/5SCF-FBP/5SCF-FBP_ligand.pdbqt | data/5S/5SCF-FBP/5SCF-FBP_target.pdbqt | data/5S/5SCF-FBP/5SCF-FBP_decoys.pdbqt | data/5S/5SCF-FBP/5SCF-FBP_decoy_scores.csv |
5SKT-KIY | data/5S/5SKT-KIY/5SKT-KIY_ligand.pdbqt | data/5S/5SKT-KIY/5SKT-KIY_target.pdbqt | data/5S/5SKT-KIY/5SKT-KIY_decoys.pdbqt | data/5S/5SKT-KIY/5SKT-KIY_decoy_scores.csv |
5SB2-1K2 | data/5S/5SB2-1K2/5SB2-1K2_ligand.pdbqt | data/5S/5SB2-1K2/5SB2-1K2_target.pdbqt | data/5S/5SB2-1K2/5SB2-1K2_decoys.pdbqt | data/5S/5SB2-1K2/5SB2-1K2_decoy_scores.csv |
5S9E-Y47 | data/5S/5S9E-Y47/5S9E-Y47_ligand.pdbqt | data/5S/5S9E-Y47/5S9E-Y47_target.pdbqt | data/5S/5S9E-Y47/5S9E-Y47_decoys.pdbqt | data/5S/5S9E-Y47/5S9E-Y47_decoy_scores.csv |
5S4R-NW7 | data/5S/5S4R-NW7/5S4R-NW7_ligand.pdbqt | data/5S/5S4R-NW7/5S4R-NW7_target.pdbqt | data/5S/5S4R-NW7/5S4R-NW7_decoys.pdbqt | data/5S/5S4R-NW7/5S4R-NW7_decoy_scores.csv |
5SA1-AWD | data/5S/5SA1-AWD/5SA1-AWD_ligand.pdbqt | data/5S/5SA1-AWD/5SA1-AWD_target.pdbqt | data/5S/5SA1-AWD/5SA1-AWD_decoys.pdbqt | data/5S/5SA1-AWD/5SA1-AWD_decoy_scores.csv |
5S2U-VXD | data/5S/5S2U-VXD/5S2U-VXD_ligand.pdbqt | data/5S/5S2U-VXD/5S2U-VXD_target.pdbqt | data/5S/5S2U-VXD/5S2U-VXD_decoys.pdbqt | data/5S/5S2U-VXD/5S2U-VXD_decoy_scores.csv |
5S56-GDP | data/5S/5S56-GDP/5S56-GDP_ligand.pdbqt | data/5S/5S56-GDP/5S56-GDP_target.pdbqt | data/5S/5S56-GDP/5S56-GDP_decoys.pdbqt | data/5S/5S56-GDP/5S56-GDP_decoy_scores.csv |
5SA0-NXJ | data/5S/5SA0-NXJ/5SA0-NXJ_ligand.pdbqt | data/5S/5SA0-NXJ/5SA0-NXJ_target.pdbqt | data/5S/5SA0-NXJ/5SA0-NXJ_decoys.pdbqt | data/5S/5SA0-NXJ/5SA0-NXJ_decoy_scores.csv |
5S2R-K41 | data/5S/5S2R-K41/5S2R-K41_ligand.pdbqt | data/5S/5S2R-K41/5S2R-K41_target.pdbqt | data/5S/5S2R-K41/5S2R-K41_decoys.pdbqt | data/5S/5S2R-K41/5S2R-K41_decoy_scores.csv |
5S33-K2G | data/5S/5S33-K2G/5S33-K2G_ligand.pdbqt | data/5S/5S33-K2G/5S33-K2G_target.pdbqt | data/5S/5S33-K2G/5S33-K2G_decoys.pdbqt | data/5S/5S33-K2G/5S33-K2G_decoy_scores.csv |
5S5U-GDP | data/5S/5S5U-GDP/5S5U-GDP_ligand.pdbqt | data/5S/5S5U-GDP/5S5U-GDP_target.pdbqt | data/5S/5S5U-GDP/5S5U-GDP_decoys.pdbqt | data/5S/5S5U-GDP/5S5U-GDP_decoy_scores.csv |
5S4R-ACP | data/5S/5S4R-ACP/5S4R-ACP_ligand.pdbqt | data/5S/5S4R-ACP/5S4R-ACP_target.pdbqt | data/5S/5S4R-ACP/5S4R-ACP_decoys.pdbqt | data/5S/5S4R-ACP/5S4R-ACP_decoy_scores.csv |
5S65-X1J | data/5S/5S65-X1J/5S65-X1J_ligand.pdbqt | data/5S/5S65-X1J/5S65-X1J_target.pdbqt | data/5S/5S65-X1J/5S65-X1J_decoys.pdbqt | data/5S/5S65-X1J/5S65-X1J_decoy_scores.csv |
5S51-RWS | data/5S/5S51-RWS/5S51-RWS_ligand.pdbqt | data/5S/5S51-RWS/5S51-RWS_target.pdbqt | data/5S/5S51-RWS/5S51-RWS_decoys.pdbqt | data/5S/5S51-RWS/5S51-RWS_decoy_scores.csv |
5SK7-KCF | data/5S/5SK7-KCF/5SK7-KCF_ligand.pdbqt | data/5S/5SK7-KCF/5SK7-KCF_target.pdbqt | data/5S/5SK7-KCF/5SK7-KCF_decoys.pdbqt | data/5S/5SK7-KCF/5SK7-KCF_decoy_scores.csv |
5S87-LU8 | data/5S/5S87-LU8/5S87-LU8_ligand.pdbqt | data/5S/5S87-LU8/5S87-LU8_target.pdbqt | data/5S/5S87-LU8/5S87-LU8_decoys.pdbqt | data/5S/5S87-LU8/5S87-LU8_decoy_scores.csv |
5SD0-HIK | data/5S/5SD0-HIK/5SD0-HIK_ligand.pdbqt | data/5S/5SD0-HIK/5SD0-HIK_target.pdbqt | data/5S/5SD0-HIK/5SD0-HIK_decoys.pdbqt | data/5S/5SD0-HIK/5SD0-HIK_decoy_scores.csv |
5SU4-W8K | data/5S/5SU4-W8K/5SU4-W8K_ligand.pdbqt | data/5S/5SU4-W8K/5SU4-W8K_target.pdbqt | data/5S/5SU4-W8K/5SU4-W8K_decoys.pdbqt | data/5S/5SU4-W8K/5SU4-W8K_decoy_scores.csv |
5SCE-FBP | data/5S/5SCE-FBP/5SCE-FBP_ligand.pdbqt | data/5S/5SCE-FBP/5SCE-FBP_target.pdbqt | data/5S/5SCE-FBP/5SCE-FBP_decoys.pdbqt | data/5S/5SCE-FBP/5SCE-FBP_decoy_scores.csv |
5S5F-UQM | data/5S/5S5F-UQM/5S5F-UQM_ligand.pdbqt | data/5S/5S5F-UQM/5S5F-UQM_target.pdbqt | data/5S/5S5F-UQM/5S5F-UQM_decoys.pdbqt | data/5S/5S5F-UQM/5S5F-UQM_decoy_scores.csv |
5S9D-Y44 | data/5S/5S9D-Y44/5S9D-Y44_ligand.pdbqt | data/5S/5S9D-Y44/5S9D-Y44_target.pdbqt | data/5S/5S9D-Y44/5S9D-Y44_decoys.pdbqt | data/5S/5S9D-Y44/5S9D-Y44_decoy_scores.csv |
5SMD-WKS | data/5S/5SMD-WKS/5SMD-WKS_ligand.pdbqt | data/5S/5SMD-WKS/5SMD-WKS_target.pdbqt | data/5S/5SMD-WKS/5SMD-WKS_decoys.pdbqt | data/5S/5SMD-WKS/5SMD-WKS_decoy_scores.csv |
5SJW-K9O | data/5S/5SJW-K9O/5SJW-K9O_ligand.pdbqt | data/5S/5SJW-K9O/5SJW-K9O_target.pdbqt | data/5S/5SJW-K9O/5SJW-K9O_decoys.pdbqt | data/5S/5SJW-K9O/5SJW-K9O_decoy_scores.csv |
5SIT-JSY | data/5S/5SIT-JSY/5SIT-JSY_ligand.pdbqt | data/5S/5SIT-JSY/5SIT-JSY_target.pdbqt | data/5S/5SIT-JSY/5SIT-JSY_decoys.pdbqt | data/5S/5SIT-JSY/5SIT-JSY_decoy_scores.csv |
5SHV-JKX | data/5S/5SHV-JKX/5SHV-JKX_ligand.pdbqt | data/5S/5SHV-JKX/5SHV-JKX_target.pdbqt | data/5S/5SHV-JKX/5SHV-JKX_decoys.pdbqt | data/5S/5SHV-JKX/5SHV-JKX_decoy_scores.csv |
5S61-GDP | data/5S/5S61-GDP/5S61-GDP_ligand.pdbqt | data/5S/5S61-GDP/5S61-GDP_target.pdbqt | data/5S/5S61-GDP/5S61-GDP_decoys.pdbqt | data/5S/5S61-GDP/5S61-GDP_decoy_scores.csv |
5S4V-9KS | data/5S/5S4V-9KS/5S4V-9KS_ligand.pdbqt | data/5S/5S4V-9KS/5S4V-9KS_target.pdbqt | data/5S/5S4V-9KS/5S4V-9KS_decoys.pdbqt | data/5S/5S4V-9KS/5S4V-9KS_decoy_scores.csv |
5S58-GTP | data/5S/5S58-GTP/5S58-GTP_ligand.pdbqt | data/5S/5S58-GTP/5S58-GTP_target.pdbqt | data/5S/5S58-GTP/5S58-GTP_decoys.pdbqt | data/5S/5S58-GTP/5S58-GTP_decoy_scores.csv |
5S3I-W1P | data/5S/5S3I-W1P/5S3I-W1P_ligand.pdbqt | data/5S/5S3I-W1P/5S3I-W1P_target.pdbqt | data/5S/5S3I-W1P/5S3I-W1P_decoys.pdbqt | data/5S/5S3I-W1P/5S3I-W1P_decoy_scores.csv |
5SBD-ACP | data/5S/5SBD-ACP/5SBD-ACP_ligand.pdbqt | data/5S/5SBD-ACP/5SBD-ACP_target.pdbqt | data/5S/5SBD-ACP/5SBD-ACP_decoys.pdbqt | data/5S/5SBD-ACP/5SBD-ACP_decoy_scores.csv |
5S5U-GOJ | data/5S/5S5U-GOJ/5S5U-GOJ_ligand.pdbqt | data/5S/5S5U-GOJ/5S5U-GOJ_target.pdbqt | data/5S/5S5U-GOJ/5S5U-GOJ_decoys.pdbqt | data/5S/5S5U-GOJ/5S5U-GOJ_decoy_scores.csv |
5SK4-KBL | data/5S/5SK4-KBL/5SK4-KBL_ligand.pdbqt | data/5S/5SK4-KBL/5SK4-KBL_target.pdbqt | data/5S/5SK4-KBL/5SK4-KBL_decoys.pdbqt | data/5S/5SK4-KBL/5SK4-KBL_decoy_scores.csv |
5SEV-IHV | data/5S/5SEV-IHV/5SEV-IHV_ligand.pdbqt | data/5S/5SEV-IHV/5SEV-IHV_target.pdbqt | data/5S/5SEV-IHV/5SEV-IHV_decoys.pdbqt | data/5S/5SEV-IHV/5SEV-IHV_decoy_scores.csv |
5SK3-IIR | data/5S/5SK3-IIR/5SK3-IIR_ligand.pdbqt | data/5S/5SK3-IIR/5SK3-IIR_target.pdbqt | data/5S/5SK3-IIR/5SK3-IIR_decoys.pdbqt | data/5S/5SK3-IIR/5SK3-IIR_decoy_scores.csv |
5S99-Y34 | data/5S/5S99-Y34/5S99-Y34_ligand.pdbqt | data/5S/5S99-Y34/5S99-Y34_target.pdbqt | data/5S/5S99-Y34/5S99-Y34_decoys.pdbqt | data/5S/5S99-Y34/5S99-Y34_decoy_scores.csv |
5SIY-JUC | data/5S/5SIY-JUC/5SIY-JUC_ligand.pdbqt | data/5S/5SIY-JUC/5SIY-JUC_target.pdbqt | data/5S/5SIY-JUC/5SIY-JUC_decoys.pdbqt | data/5S/5SIY-JUC/5SIY-JUC_decoy_scores.csv |
5S5R-GVV | data/5S/5S5R-GVV/5S5R-GVV_ligand.pdbqt | data/5S/5S5R-GVV/5S5R-GVV_target.pdbqt | data/5S/5S5R-GVV/5S5R-GVV_decoys.pdbqt | data/5S/5S5R-GVV/5S5R-GVV_decoy_scores.csv |
5SCR-GXJ | data/5S/5SCR-GXJ/5SCR-GXJ_ligand.pdbqt | data/5S/5SCR-GXJ/5SCR-GXJ_target.pdbqt | data/5S/5SCR-GXJ/5SCR-GXJ_decoys.pdbqt | data/5S/5SCR-GXJ/5SCR-GXJ_decoy_scores.csv |
5SKF-KF9 | data/5S/5SKF-KF9/5SKF-KF9_ligand.pdbqt | data/5S/5SKF-KF9/5SKF-KF9_target.pdbqt | data/5S/5SKF-KF9/5SKF-KF9_decoys.pdbqt | data/5S/5SKF-KF9/5SKF-KF9_decoy_scores.csv |
5S7D-LU8 | data/5S/5S7D-LU8/5S7D-LU8_ligand.pdbqt | data/5S/5S7D-LU8/5S7D-LU8_target.pdbqt | data/5S/5S7D-LU8/5S7D-LU8_decoys.pdbqt | data/5S/5S7D-LU8/5S7D-LU8_decoy_scores.csv |
5S5K-GDP | data/5S/5S5K-GDP/5S5K-GDP_ligand.pdbqt | data/5S/5S5K-GDP/5S5K-GDP_target.pdbqt | data/5S/5S5K-GDP/5S5K-GDP_decoys.pdbqt | data/5S/5S5K-GDP/5S5K-GDP_decoy_scores.csv |
5SM9-VZS | data/5S/5SM9-VZS/5SM9-VZS_ligand.pdbqt | data/5S/5SM9-VZS/5SM9-VZS_target.pdbqt | data/5S/5SM9-VZS/5SM9-VZS_decoys.pdbqt | data/5S/5SM9-VZS/5SM9-VZS_decoy_scores.csv |
5SH1-IZW | data/5S/5SH1-IZW/5SH1-IZW_ligand.pdbqt | data/5S/5SH1-IZW/5SH1-IZW_target.pdbqt | data/5S/5SH1-IZW/5SH1-IZW_decoys.pdbqt | data/5S/5SH1-IZW/5SH1-IZW_decoy_scores.csv |
5S5X-GDP | data/5S/5S5X-GDP/5S5X-GDP_ligand.pdbqt | data/5S/5S5X-GDP/5S5X-GDP_target.pdbqt | data/5S/5S5X-GDP/5S5X-GDP_decoys.pdbqt | data/5S/5S5X-GDP/5S5X-GDP_decoy_scores.csv |
5SER-IGW | data/5S/5SER-IGW/5SER-IGW_ligand.pdbqt | data/5S/5SER-IGW/5SER-IGW_target.pdbqt | data/5S/5SER-IGW/5SER-IGW_decoys.pdbqt | data/5S/5SER-IGW/5SER-IGW_decoy_scores.csv |
5S8M-1BN | data/5S/5S8M-1BN/5S8M-1BN_ligand.pdbqt | data/5S/5S8M-1BN/5S8M-1BN_target.pdbqt | data/5S/5S8M-1BN/5S8M-1BN_decoys.pdbqt | data/5S/5S8M-1BN/5S8M-1BN_decoy_scores.csv |
5S4O-GDP | data/5S/5S4O-GDP/5S4O-GDP_ligand.pdbqt | data/5S/5S4O-GDP/5S4O-GDP_target.pdbqt | data/5S/5S4O-GDP/5S4O-GDP_decoys.pdbqt | data/5S/5S4O-GDP/5S4O-GDP_decoy_scores.csv |
5SCJ-I9K | data/5S/5SCJ-I9K/5SCJ-I9K_ligand.pdbqt | data/5S/5SCJ-I9K/5SCJ-I9K_target.pdbqt | data/5S/5SCJ-I9K/5SCJ-I9K_decoys.pdbqt | data/5S/5SCJ-I9K/5SCJ-I9K_decoy_scores.csv |
5S3D-JFP | data/5S/5S3D-JFP/5S3D-JFP_ligand.pdbqt | data/5S/5S3D-JFP/5S3D-JFP_target.pdbqt | data/5S/5S3D-JFP/5S3D-JFP_decoys.pdbqt | data/5S/5S3D-JFP/5S3D-JFP_decoy_scores.csv |
5S2L-VZS | data/5S/5S2L-VZS/5S2L-VZS_ligand.pdbqt | data/5S/5S2L-VZS/5S2L-VZS_target.pdbqt | data/5S/5S2L-VZS/5S2L-VZS_decoys.pdbqt | data/5S/5S2L-VZS/5S2L-VZS_decoy_scores.csv |
5S5U-GTP | data/5S/5S5U-GTP/5S5U-GTP_ligand.pdbqt | data/5S/5S5U-GTP/5S5U-GTP_target.pdbqt | data/5S/5S5U-GTP/5S5U-GTP_decoys.pdbqt | data/5S/5S5U-GTP/5S5U-GTP_decoy_scores.csv |
5SIH-JPF | data/5S/5SIH-JPF/5SIH-JPF_ligand.pdbqt | data/5S/5SIH-JPF/5SIH-JPF_target.pdbqt | data/5S/5SIH-JPF/5SIH-JPF_decoys.pdbqt | data/5S/5SIH-JPF/5SIH-JPF_decoy_scores.csv |
5SZ1-72E | data/5S/5SZ1-72E/5SZ1-72E_ligand.pdbqt | data/5S/5SZ1-72E/5SZ1-72E_target.pdbqt | data/5S/5SZ1-72E/5SZ1-72E_decoys.pdbqt | data/5S/5SZ1-72E/5SZ1-72E_decoy_scores.csv |
5S8J-54Y | data/5S/5S8J-54Y/5S8J-54Y_ligand.pdbqt | data/5S/5S8J-54Y/5S8J-54Y_target.pdbqt | data/5S/5S8J-54Y/5S8J-54Y_decoys.pdbqt | data/5S/5S8J-54Y/5S8J-54Y_decoy_scores.csv |
5SU5-W8W | data/5S/5SU5-W8W/5SU5-W8W_ligand.pdbqt | data/5S/5SU5-W8W/5SU5-W8W_target.pdbqt | data/5S/5SU5-W8W/5SU5-W8W_decoys.pdbqt | data/5S/5SU5-W8W/5SU5-W8W_decoy_scores.csv |
5SVG-FMN | data/5S/5SVG-FMN/5SVG-FMN_ligand.pdbqt | data/5S/5SVG-FMN/5SVG-FMN_target.pdbqt | data/5S/5SVG-FMN/5SVG-FMN_decoys.pdbqt | data/5S/5SVG-FMN/5SVG-FMN_decoy_scores.csv |
5S9G-XLP | data/5S/5S9G-XLP/5S9G-XLP_ligand.pdbqt | data/5S/5S9G-XLP/5S9G-XLP_target.pdbqt | data/5S/5S9G-XLP/5S9G-XLP_decoys.pdbqt | data/5S/5S9G-XLP/5S9G-XLP_decoy_scores.csv |
5S3K-RZS | data/5S/5S3K-RZS/5S3K-RZS_ligand.pdbqt | data/5S/5S3K-RZS/5S3K-RZS_target.pdbqt | data/5S/5S3K-RZS/5S3K-RZS_decoys.pdbqt | data/5S/5S3K-RZS/5S3K-RZS_decoy_scores.csv |
5SI5-JM0 | data/5S/5SI5-JM0/5SI5-JM0_ligand.pdbqt | data/5S/5SI5-JM0/5SI5-JM0_target.pdbqt | data/5S/5SI5-JM0/5SI5-JM0_decoys.pdbqt | data/5S/5SI5-JM0/5SI5-JM0_decoy_scores.csv |
5SE2-IBY | data/5S/5SE2-IBY/5SE2-IBY_ligand.pdbqt | data/5S/5SE2-IBY/5SE2-IBY_target.pdbqt | data/5S/5SE2-IBY/5SE2-IBY_decoys.pdbqt | data/5S/5SE2-IBY/5SE2-IBY_decoy_scores.csv |
5S7K-LU8 | data/5S/5S7K-LU8/5S7K-LU8_ligand.pdbqt | data/5S/5S7K-LU8/5S7K-LU8_target.pdbqt | data/5S/5S7K-LU8/5S7K-LU8_decoys.pdbqt | data/5S/5S7K-LU8/5S7K-LU8_decoy_scores.csv |
5S43-UUJ | data/5S/5S43-UUJ/5S43-UUJ_ligand.pdbqt | data/5S/5S43-UUJ/5S43-UUJ_target.pdbqt | data/5S/5S43-UUJ/5S43-UUJ_decoys.pdbqt | data/5S/5S43-UUJ/5S43-UUJ_decoy_scores.csv |
5SFP-IO4 | data/5S/5SFP-IO4/5SFP-IO4_ligand.pdbqt | data/5S/5SFP-IO4/5SFP-IO4_target.pdbqt | data/5S/5SFP-IO4/5SFP-IO4_decoys.pdbqt | data/5S/5SFP-IO4/5SFP-IO4_decoy_scores.csv |
5S3N-W1V | data/5S/5S3N-W1V/5S3N-W1V_ligand.pdbqt | data/5S/5S3N-W1V/5S3N-W1V_target.pdbqt | data/5S/5S3N-W1V/5S3N-W1V_decoys.pdbqt | data/5S/5S3N-W1V/5S3N-W1V_decoy_scores.csv |
5SZ2-72G | data/5S/5SZ2-72G/5SZ2-72G_ligand.pdbqt | data/5S/5SZ2-72G/5SZ2-72G_target.pdbqt | data/5S/5SZ2-72G/5SZ2-72G_decoys.pdbqt | data/5S/5SZ2-72G/5SZ2-72G_decoy_scores.csv |
5SL1-O2A | data/5S/5SL1-O2A/5SL1-O2A_ligand.pdbqt | data/5S/5SL1-O2A/5SL1-O2A_target.pdbqt | data/5S/5SL1-O2A/5SL1-O2A_decoys.pdbqt | data/5S/5SL1-O2A/5SL1-O2A_decoy_scores.csv |
5SI2-JL6 | data/5S/5SI2-JL6/5SI2-JL6_ligand.pdbqt | data/5S/5SI2-JL6/5SI2-JL6_target.pdbqt | data/5S/5SI2-JL6/5SI2-JL6_decoys.pdbqt | data/5S/5SI2-JL6/5SI2-JL6_decoy_scores.csv |
5SC2-8D8 | data/5S/5SC2-8D8/5SC2-8D8_ligand.pdbqt | data/5S/5SC2-8D8/5SC2-8D8_target.pdbqt | data/5S/5SC2-8D8/5SC2-8D8_decoys.pdbqt | data/5S/5SC2-8D8/5SC2-8D8_decoy_scores.csv |
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