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 ⌀ |
|---|---|---|---|---|
5S4P-GDP | data/5S/5S4P-GDP/5S4P-GDP_ligand.pdbqt | data/5S/5S4P-GDP/5S4P-GDP_target.pdbqt | data/5S/5S4P-GDP/5S4P-GDP_decoys.pdbqt | data/5S/5S4P-GDP/5S4P-GDP_decoy_scores.csv |
5S5H-GTP | data/5S/5S5H-GTP/5S5H-GTP_ligand.pdbqt | data/5S/5S5H-GTP/5S5H-GTP_target.pdbqt | data/5S/5S5H-GTP/5S5H-GTP_decoys.pdbqt | data/5S/5S5H-GTP/5S5H-GTP_decoy_scores.csv |
5SCH-FBP | data/5S/5SCH-FBP/5SCH-FBP_ligand.pdbqt | data/5S/5SCH-FBP/5SCH-FBP_target.pdbqt | data/5S/5SCH-FBP/5SCH-FBP_decoys.pdbqt | data/5S/5SCH-FBP/5SCH-FBP_decoy_scores.csv |
5SI3-JLI | data/5S/5SI3-JLI/5SI3-JLI_ligand.pdbqt | data/5S/5SI3-JLI/5SI3-JLI_target.pdbqt | data/5S/5SI3-JLI/5SI3-JLI_decoys.pdbqt | data/5S/5SI3-JLI/5SI3-JLI_decoy_scores.csv |
5SUD-V7C | data/5S/5SUD-V7C/5SUD-V7C_ligand.pdbqt | data/5S/5SUD-V7C/5SUD-V7C_target.pdbqt | data/5S/5SUD-V7C/5SUD-V7C_decoys.pdbqt | data/5S/5SUD-V7C/5SUD-V7C_decoy_scores.csv |
5S9O-YW1 | data/5S/5S9O-YW1/5S9O-YW1_ligand.pdbqt | data/5S/5S9O-YW1/5S9O-YW1_target.pdbqt | data/5S/5S9O-YW1/5S9O-YW1_decoys.pdbqt | data/5S/5S9O-YW1/5S9O-YW1_decoy_scores.csv |
5SUX-70H | data/5S/5SUX-70H/5SUX-70H_ligand.pdbqt | data/5S/5SUX-70H/5SUX-70H_target.pdbqt | data/5S/5SUX-70H/5SUX-70H_decoys.pdbqt | data/5S/5SUX-70H/5SUX-70H_decoy_scores.csv |
5SZ6-72G | data/5S/5SZ6-72G/5SZ6-72G_ligand.pdbqt | data/5S/5SZ6-72G/5SZ6-72G_target.pdbqt | data/5S/5SZ6-72G/5SZ6-72G_decoys.pdbqt | data/5S/5SZ6-72G/5SZ6-72G_decoy_scores.csv |
5SGV-IYW | data/5S/5SGV-IYW/5SGV-IYW_ligand.pdbqt | data/5S/5SGV-IYW/5SGV-IYW_target.pdbqt | data/5S/5SGV-IYW/5SGV-IYW_decoys.pdbqt | data/5S/5SGV-IYW/5SGV-IYW_decoy_scores.csv |
5SF1-IJ0 | data/5S/5SF1-IJ0/5SF1-IJ0_ligand.pdbqt | data/5S/5SF1-IJ0/5SF1-IJ0_target.pdbqt | data/5S/5SF1-IJ0/5SF1-IJ0_decoys.pdbqt | data/5S/5SF1-IJ0/5SF1-IJ0_decoy_scores.csv |
5S79-LU8 | data/5S/5S79-LU8/5S79-LU8_ligand.pdbqt | data/5S/5S79-LU8/5S79-LU8_target.pdbqt | data/5S/5S79-LU8/5S79-LU8_decoys.pdbqt | data/5S/5S79-LU8/5S79-LU8_decoy_scores.csv |
5SHI-JG9 | data/5S/5SHI-JG9/5SHI-JG9_ligand.pdbqt | data/5S/5SHI-JG9/5SHI-JG9_target.pdbqt | data/5S/5SHI-JG9/5SHI-JG9_decoys.pdbqt | data/5S/5SHI-JG9/5SHI-JG9_decoy_scores.csv |
5SCB-FBP | data/5S/5SCB-FBP/5SCB-FBP_ligand.pdbqt | data/5S/5SCB-FBP/5SCB-FBP_target.pdbqt | data/5S/5SCB-FBP/5SCB-FBP_decoys.pdbqt | data/5S/5SCB-FBP/5SCB-FBP_decoy_scores.csv |
5SAZ-1IW | data/5S/5SAZ-1IW/5SAZ-1IW_ligand.pdbqt | data/5S/5SAZ-1IW/5SAZ-1IW_target.pdbqt | data/5S/5SAZ-1IW/5SAZ-1IW_decoys.pdbqt | data/5S/5SAZ-1IW/5SAZ-1IW_decoy_scores.csv |
5STX-V92 | data/5S/5STX-V92/5STX-V92_ligand.pdbqt | data/5S/5STX-V92/5STX-V92_target.pdbqt | data/5S/5STX-V92/5STX-V92_decoys.pdbqt | data/5S/5STX-V92/5STX-V92_decoy_scores.csv |
5SCE-I8Y | data/5S/5SCE-I8Y/5SCE-I8Y_ligand.pdbqt | data/5S/5SCE-I8Y/5SCE-I8Y_target.pdbqt | data/5S/5SCE-I8Y/5SCE-I8Y_decoys.pdbqt | data/5S/5SCE-I8Y/5SCE-I8Y_decoy_scores.csv |
5S67-ACP | data/5S/5S67-ACP/5S67-ACP_ligand.pdbqt | data/5S/5S67-ACP/5S67-ACP_target.pdbqt | data/5S/5S67-ACP/5S67-ACP_decoys.pdbqt | data/5S/5S67-ACP/5S67-ACP_decoy_scores.csv |
5SZ4-72D | data/5S/5SZ4-72D/5SZ4-72D_ligand.pdbqt | data/5S/5SZ4-72D/5SZ4-72D_target.pdbqt | data/5S/5SZ4-72D/5SZ4-72D_decoys.pdbqt | data/5S/5SZ4-72D/5SZ4-72D_decoy_scores.csv |
5SYZ-71W | data/5S/5SYZ-71W/5SYZ-71W_ligand.pdbqt | data/5S/5SYZ-71W/5SYZ-71W_target.pdbqt | data/5S/5SYZ-71W/5SYZ-71W_decoys.pdbqt | data/5S/5SYZ-71W/5SYZ-71W_decoy_scores.csv |
5SEJ-IFV | data/5S/5SEJ-IFV/5SEJ-IFV_ligand.pdbqt | data/5S/5SEJ-IFV/5SEJ-IFV_target.pdbqt | data/5S/5SEJ-IFV/5SEJ-IFV_decoys.pdbqt | data/5S/5SEJ-IFV/5SEJ-IFV_decoy_scores.csv |
5SAM-ZS7 | data/5S/5SAM-ZS7/5SAM-ZS7_ligand.pdbqt | data/5S/5SAM-ZS7/5SAM-ZS7_target.pdbqt | data/5S/5SAM-ZS7/5SAM-ZS7_decoys.pdbqt | data/5S/5SAM-ZS7/5SAM-ZS7_decoy_scores.csv |
5SMB-LRR | data/5S/5SMB-LRR/5SMB-LRR_ligand.pdbqt | data/5S/5SMB-LRR/5SMB-LRR_target.pdbqt | data/5S/5SMB-LRR/5SMB-LRR_decoys.pdbqt | data/5S/5SMB-LRR/5SMB-LRR_decoy_scores.csv |
5SM5-S5J | data/5S/5SM5-S5J/5SM5-S5J_ligand.pdbqt | data/5S/5SM5-S5J/5SM5-S5J_target.pdbqt | data/5S/5SM5-S5J/5SM5-S5J_decoys.pdbqt | data/5S/5SM5-S5J/5SM5-S5J_decoy_scores.csv |
5S9R-YWA | data/5S/5S9R-YWA/5S9R-YWA_ligand.pdbqt | data/5S/5S9R-YWA/5S9R-YWA_target.pdbqt | data/5S/5S9R-YWA/5S9R-YWA_decoys.pdbqt | data/5S/5S9R-YWA/5S9R-YWA_decoy_scores.csv |
5SB6-GTP | data/5S/5SB6-GTP/5SB6-GTP_ligand.pdbqt | data/5S/5SB6-GTP/5SB6-GTP_target.pdbqt | data/5S/5SB6-GTP/5SB6-GTP_decoys.pdbqt | data/5S/5SB6-GTP/5SB6-GTP_decoy_scores.csv |
5S4L-GDP | data/5S/5S4L-GDP/5S4L-GDP_ligand.pdbqt | data/5S/5S4L-GDP/5S4L-GDP_target.pdbqt | data/5S/5S4L-GDP/5S4L-GDP_decoys.pdbqt | data/5S/5S4L-GDP/5S4L-GDP_decoy_scores.csv |
5S97-Y2V | data/5S/5S97-Y2V/5S97-Y2V_ligand.pdbqt | data/5S/5S97-Y2V/5S97-Y2V_target.pdbqt | data/5S/5S97-Y2V/5S97-Y2V_decoys.pdbqt | data/5S/5S97-Y2V/5S97-Y2V_decoy_scores.csv |
5SK2-KB6 | data/5S/5SK2-KB6/5SK2-KB6_ligand.pdbqt | data/5S/5SK2-KB6/5SK2-KB6_target.pdbqt | data/5S/5SK2-KB6/5SK2-KB6_decoys.pdbqt | data/5S/5SK2-KB6/5SK2-KB6_decoy_scores.csv |
5S5A-WZY | data/5S/5S5A-WZY/5S5A-WZY_ligand.pdbqt | data/5S/5S5A-WZY/5S5A-WZY_target.pdbqt | data/5S/5S5A-WZY/5S5A-WZY_decoys.pdbqt | data/5S/5S5A-WZY/5S5A-WZY_decoy_scores.csv |
5SLN-LUY | data/5S/5SLN-LUY/5SLN-LUY_ligand.pdbqt | data/5S/5SLN-LUY/5SLN-LUY_target.pdbqt | data/5S/5SLN-LUY/5SLN-LUY_decoys.pdbqt | data/5S/5SLN-LUY/5SLN-LUY_decoy_scores.csv |
5S4P-ACP | data/5S/5S4P-ACP/5S4P-ACP_ligand.pdbqt | data/5S/5S4P-ACP/5S4P-ACP_target.pdbqt | data/5S/5S4P-ACP/5S4P-ACP_decoys.pdbqt | data/5S/5S4P-ACP/5S4P-ACP_decoy_scores.csv |
5S98-Y31 | data/5S/5S98-Y31/5S98-Y31_ligand.pdbqt | data/5S/5S98-Y31/5S98-Y31_target.pdbqt | data/5S/5S98-Y31/5S98-Y31_decoys.pdbqt | data/5S/5S98-Y31/5S98-Y31_decoy_scores.csv |
5SJ5-JXO | data/5S/5SJ5-JXO/5SJ5-JXO_ligand.pdbqt | data/5S/5SJ5-JXO/5SJ5-JXO_target.pdbqt | data/5S/5SJ5-JXO/5SJ5-JXO_decoys.pdbqt | data/5S/5SJ5-JXO/5SJ5-JXO_decoy_scores.csv |
5S39-W0Y | data/5S/5S39-W0Y/5S39-W0Y_ligand.pdbqt | data/5S/5S39-W0Y/5S39-W0Y_target.pdbqt | data/5S/5S39-W0Y/5S39-W0Y_decoys.pdbqt | data/5S/5S39-W0Y/5S39-W0Y_decoy_scores.csv |
5S89-LU8 | data/5S/5S89-LU8/5S89-LU8_ligand.pdbqt | data/5S/5S89-LU8/5S89-LU8_target.pdbqt | data/5S/5S89-LU8/5S89-LU8_decoys.pdbqt | data/5S/5S89-LU8/5S89-LU8_decoy_scores.csv |
5SFB-IK0 | data/5S/5SFB-IK0/5SFB-IK0_ligand.pdbqt | data/5S/5SFB-IK0/5SFB-IK0_target.pdbqt | data/5S/5SFB-IK0/5SFB-IK0_decoys.pdbqt | data/5S/5SFB-IK0/5SFB-IK0_decoy_scores.csv |
5S38-S7J | data/5S/5S38-S7J/5S38-S7J_ligand.pdbqt | data/5S/5S38-S7J/5S38-S7J_target.pdbqt | data/5S/5S38-S7J/5S38-S7J_decoys.pdbqt | data/5S/5S38-S7J/5S38-S7J_decoy_scores.csv |
5SEE-IEN | data/5S/5SEE-IEN/5SEE-IEN_ligand.pdbqt | data/5S/5SEE-IEN/5SEE-IEN_target.pdbqt | data/5S/5SEE-IEN/5SEE-IEN_decoys.pdbqt | data/5S/5SEE-IEN/5SEE-IEN_decoy_scores.csv |
5SE1-IBV | data/5S/5SE1-IBV/5SE1-IBV_ligand.pdbqt | data/5S/5SE1-IBV/5SE1-IBV_target.pdbqt | data/5S/5SE1-IBV/5SE1-IBV_decoys.pdbqt | data/5S/5SE1-IBV/5SE1-IBV_decoy_scores.csv |
5S57-ACP | data/5S/5S57-ACP/5S57-ACP_ligand.pdbqt | data/5S/5S57-ACP/5S57-ACP_target.pdbqt | data/5S/5S57-ACP/5S57-ACP_decoys.pdbqt | data/5S/5S57-ACP/5S57-ACP_decoy_scores.csv |
5S4M-GDP | data/5S/5S4M-GDP/5S4M-GDP_ligand.pdbqt | data/5S/5S4M-GDP/5S4M-GDP_target.pdbqt | data/5S/5S4M-GDP/5S4M-GDP_decoys.pdbqt | data/5S/5S4M-GDP/5S4M-GDP_decoy_scores.csv |
5S5W-GDP | data/5S/5S5W-GDP/5S5W-GDP_ligand.pdbqt | data/5S/5S5W-GDP/5S5W-GDP_target.pdbqt | data/5S/5S5W-GDP/5S5W-GDP_decoys.pdbqt | data/5S/5S5W-GDP/5S5W-GDP_decoy_scores.csv |
5SFS-IOU | data/5S/5SFS-IOU/5SFS-IOU_ligand.pdbqt | data/5S/5SFS-IOU/5SFS-IOU_target.pdbqt | data/5S/5SFS-IOU/5SFS-IOU_decoys.pdbqt | data/5S/5SFS-IOU/5SFS-IOU_decoy_scores.csv |
5STY-V9I | data/5S/5STY-V9I/5STY-V9I_ligand.pdbqt | data/5S/5STY-V9I/5STY-V9I_target.pdbqt | data/5S/5STY-V9I/5STY-V9I_decoys.pdbqt | data/5S/5STY-V9I/5STY-V9I_decoy_scores.csv |
5S1Q-WQG | data/5S/5S1Q-WQG/5S1Q-WQG_ligand.pdbqt | data/5S/5S1Q-WQG/5S1Q-WQG_target.pdbqt | data/5S/5S1Q-WQG/5S1Q-WQG_decoys.pdbqt | data/5S/5S1Q-WQG/5S1Q-WQG_decoy_scores.csv |
5SJ8-JYA | data/5S/5SJ8-JYA/5SJ8-JYA_ligand.pdbqt | data/5S/5SJ8-JYA/5SJ8-JYA_target.pdbqt | data/5S/5SJ8-JYA/5SJ8-JYA_decoys.pdbqt | data/5S/5SJ8-JYA/5SJ8-JYA_decoy_scores.csv |
5S2S-GWV | data/5S/5S2S-GWV/5S2S-GWV_ligand.pdbqt | data/5S/5S2S-GWV/5S2S-GWV_target.pdbqt | data/5S/5S2S-GWV/5S2S-GWV_decoys.pdbqt | data/5S/5S2S-GWV/5S2S-GWV_decoy_scores.csv |
5SBC-5JS | data/5S/5SBC-5JS/5SBC-5JS_ligand.pdbqt | data/5S/5SBC-5JS/5SBC-5JS_target.pdbqt | data/5S/5SBC-5JS/5SBC-5JS_decoys.pdbqt | data/5S/5SBC-5JS/5SBC-5JS_decoy_scores.csv |
5SF8-IJQ | data/5S/5SF8-IJQ/5SF8-IJQ_ligand.pdbqt | data/5S/5SF8-IJQ/5SF8-IJQ_target.pdbqt | data/5S/5SF8-IJQ/5SF8-IJQ_decoys.pdbqt | data/5S/5SF8-IJQ/5SF8-IJQ_decoy_scores.csv |
5SJU-K4U | data/5S/5SJU-K4U/5SJU-K4U_ligand.pdbqt | data/5S/5SJU-K4U/5SJU-K4U_target.pdbqt | data/5S/5SJU-K4U/5SJU-K4U_decoys.pdbqt | data/5S/5SJU-K4U/5SJU-K4U_decoy_scores.csv |
5SIK-JQ3 | data/5S/5SIK-JQ3/5SIK-JQ3_ligand.pdbqt | data/5S/5SIK-JQ3/5SIK-JQ3_target.pdbqt | data/5S/5SIK-JQ3/5SIK-JQ3_decoys.pdbqt | data/5S/5SIK-JQ3/5SIK-JQ3_decoy_scores.csv |
5SCO-GQO | data/5S/5SCO-GQO/5SCO-GQO_ligand.pdbqt | data/5S/5SCO-GQO/5SCO-GQO_target.pdbqt | data/5S/5SCO-GQO/5SCO-GQO_decoys.pdbqt | data/5S/5SCO-GQO/5SCO-GQO_decoy_scores.csv |
5SJY-K9X | data/5S/5SJY-K9X/5SJY-K9X_ligand.pdbqt | data/5S/5SJY-K9X/5SJY-K9X_target.pdbqt | data/5S/5SJY-K9X/5SJY-K9X_decoys.pdbqt | data/5S/5SJY-K9X/5SJY-K9X_decoy_scores.csv |
5SG5-IVP | data/5S/5SG5-IVP/5SG5-IVP_ligand.pdbqt | data/5S/5SG5-IVP/5SG5-IVP_target.pdbqt | data/5S/5SG5-IVP/5SG5-IVP_decoys.pdbqt | data/5S/5SG5-IVP/5SG5-IVP_decoy_scores.csv |
5SB8-GDP | data/5S/5SB8-GDP/5SB8-GDP_ligand.pdbqt | data/5S/5SB8-GDP/5SB8-GDP_target.pdbqt | data/5S/5SB8-GDP/5SB8-GDP_decoys.pdbqt | data/5S/5SB8-GDP/5SB8-GDP_decoy_scores.csv |
5STH-8K2 | data/5S/5STH-8K2/5STH-8K2_ligand.pdbqt | data/5S/5STH-8K2/5STH-8K2_target.pdbqt | data/5S/5STH-8K2/5STH-8K2_decoys.pdbqt | data/5S/5STH-8K2/5STH-8K2_decoy_scores.csv |
5SFX-IQJ | data/5S/5SFX-IQJ/5SFX-IQJ_ligand.pdbqt | data/5S/5SFX-IQJ/5SFX-IQJ_target.pdbqt | data/5S/5SFX-IQJ/5SFX-IQJ_decoys.pdbqt | data/5S/5SFX-IQJ/5SFX-IQJ_decoy_scores.csv |
5SB3-ACP | data/5S/5SB3-ACP/5SB3-ACP_ligand.pdbqt | data/5S/5SB3-ACP/5SB3-ACP_target.pdbqt | data/5S/5SB3-ACP/5SB3-ACP_decoys.pdbqt | data/5S/5SB3-ACP/5SB3-ACP_decoy_scores.csv |
5S60-GDP | data/5S/5S60-GDP/5S60-GDP_ligand.pdbqt | data/5S/5S60-GDP/5S60-GDP_target.pdbqt | data/5S/5S60-GDP/5S60-GDP_decoys.pdbqt | data/5S/5S60-GDP/5S60-GDP_decoy_scores.csv |
5S60-ACP | data/5S/5S60-ACP/5S60-ACP_ligand.pdbqt | data/5S/5S60-ACP/5S60-ACP_target.pdbqt | data/5S/5S60-ACP/5S60-ACP_decoys.pdbqt | data/5S/5S60-ACP/5S60-ACP_decoy_scores.csv |
5SAR-ZSM | data/5S/5SAR-ZSM/5SAR-ZSM_ligand.pdbqt | data/5S/5SAR-ZSM/5SAR-ZSM_target.pdbqt | data/5S/5SAR-ZSM/5SAR-ZSM_decoys.pdbqt | data/5S/5SAR-ZSM/5SAR-ZSM_decoy_scores.csv |
5SLI-LL0 | data/5S/5SLI-LL0/5SLI-LL0_ligand.pdbqt | data/5S/5SLI-LL0/5SLI-LL0_target.pdbqt | data/5S/5SLI-LL0/5SLI-LL0_decoys.pdbqt | data/5S/5SLI-LL0/5SLI-LL0_decoy_scores.csv |
5S5L-ACP | data/5S/5S5L-ACP/5S5L-ACP_ligand.pdbqt | data/5S/5S5L-ACP/5S5L-ACP_target.pdbqt | data/5S/5S5L-ACP/5S5L-ACP_decoys.pdbqt | data/5S/5S5L-ACP/5S5L-ACP_decoy_scores.csv |
5S5C-K0G | data/5S/5S5C-K0G/5S5C-K0G_ligand.pdbqt | data/5S/5S5C-K0G/5S5C-K0G_target.pdbqt | data/5S/5S5C-K0G/5S5C-K0G_decoys.pdbqt | data/5S/5S5C-K0G/5S5C-K0G_decoy_scores.csv |
5SBD-GTP | data/5S/5SBD-GTP/5SBD-GTP_ligand.pdbqt | data/5S/5SBD-GTP/5SBD-GTP_target.pdbqt | data/5S/5SBD-GTP/5SBD-GTP_decoys.pdbqt | data/5S/5SBD-GTP/5SBD-GTP_decoy_scores.csv |
5SJ0-JX9 | data/5S/5SJ0-JX9/5SJ0-JX9_ligand.pdbqt | data/5S/5SJ0-JX9/5SJ0-JX9_target.pdbqt | data/5S/5SJ0-JX9/5SJ0-JX9_decoys.pdbqt | data/5S/5SJ0-JX9/5SJ0-JX9_decoy_scores.csv |
5S88-LU8 | data/5S/5S88-LU8/5S88-LU8_ligand.pdbqt | data/5S/5S88-LU8/5S88-LU8_target.pdbqt | data/5S/5S88-LU8/5S88-LU8_decoys.pdbqt | data/5S/5S88-LU8/5S88-LU8_decoy_scores.csv |
5STU-V2U | data/5S/5STU-V2U/5STU-V2U_ligand.pdbqt | data/5S/5STU-V2U/5STU-V2U_target.pdbqt | data/5S/5STU-V2U/5STU-V2U_decoys.pdbqt | data/5S/5STU-V2U/5STU-V2U_decoy_scores.csv |
5SCX-HJI | data/5S/5SCX-HJI/5SCX-HJI_ligand.pdbqt | data/5S/5SCX-HJI/5SCX-HJI_target.pdbqt | data/5S/5SCX-HJI/5SCX-HJI_decoys.pdbqt | data/5S/5SCX-HJI/5SCX-HJI_decoy_scores.csv |
5S82-LU8 | data/5S/5S82-LU8/5S82-LU8_ligand.pdbqt | data/5S/5S82-LU8/5S82-LU8_target.pdbqt | data/5S/5S82-LU8/5S82-LU8_decoys.pdbqt | data/5S/5S82-LU8/5S82-LU8_decoy_scores.csv |
5SLD-LJ6 | data/5S/5SLD-LJ6/5SLD-LJ6_ligand.pdbqt | data/5S/5SLD-LJ6/5SLD-LJ6_target.pdbqt | data/5S/5SLD-LJ6/5SLD-LJ6_decoys.pdbqt | data/5S/5SLD-LJ6/5SLD-LJ6_decoy_scores.csv |
5S2E-VZM | data/5S/5S2E-VZM/5S2E-VZM_ligand.pdbqt | data/5S/5S2E-VZM/5S2E-VZM_target.pdbqt | data/5S/5S2E-VZM/5S2E-VZM_decoys.pdbqt | data/5S/5S2E-VZM/5S2E-VZM_decoy_scores.csv |
5S4L-ACP | data/5S/5S4L-ACP/5S4L-ACP_ligand.pdbqt | data/5S/5S4L-ACP/5S4L-ACP_target.pdbqt | data/5S/5S4L-ACP/5S4L-ACP_decoys.pdbqt | data/5S/5S4L-ACP/5S4L-ACP_decoy_scores.csv |
5SJQ-K6F | data/5S/5SJQ-K6F/5SJQ-K6F_ligand.pdbqt | data/5S/5SJQ-K6F/5SJQ-K6F_target.pdbqt | data/5S/5SJQ-K6F/5SJQ-K6F_decoys.pdbqt | data/5S/5SJQ-K6F/5SJQ-K6F_decoy_scores.csv |
5S3X-W2V | data/5S/5S3X-W2V/5S3X-W2V_ligand.pdbqt | data/5S/5S3X-W2V/5S3X-W2V_target.pdbqt | data/5S/5S3X-W2V/5S3X-W2V_decoys.pdbqt | data/5S/5S3X-W2V/5S3X-W2V_decoy_scores.csv |
5SBT-VZP | data/5S/5SBT-VZP/5SBT-VZP_ligand.pdbqt | data/5S/5SBT-VZP/5SBT-VZP_target.pdbqt | data/5S/5SBT-VZP/5SBT-VZP_decoys.pdbqt | data/5S/5SBT-VZP/5SBT-VZP_decoy_scores.csv |
5S5R-GDP | data/5S/5S5R-GDP/5S5R-GDP_ligand.pdbqt | data/5S/5S5R-GDP/5S5R-GDP_target.pdbqt | data/5S/5S5R-GDP/5S5R-GDP_decoys.pdbqt | data/5S/5S5R-GDP/5S5R-GDP_decoy_scores.csv |
5SJ1-JWJ | data/5S/5SJ1-JWJ/5SJ1-JWJ_ligand.pdbqt | data/5S/5SJ1-JWJ/5SJ1-JWJ_target.pdbqt | data/5S/5SJ1-JWJ/5SJ1-JWJ_decoys.pdbqt | data/5S/5SJ1-JWJ/5SJ1-JWJ_decoy_scores.csv |
5S5H-GDP | data/5S/5S5H-GDP/5S5H-GDP_ligand.pdbqt | data/5S/5S5H-GDP/5S5H-GDP_target.pdbqt | data/5S/5S5H-GDP/5S5H-GDP_decoys.pdbqt | data/5S/5S5H-GDP/5S5H-GDP_decoy_scores.csv |
5SZZ-GDP | data/5S/5SZZ-GDP/5SZZ-GDP_ligand.pdbqt | data/5S/5SZZ-GDP/5SZZ-GDP_target.pdbqt | data/5S/5SZZ-GDP/5SZZ-GDP_decoys.pdbqt | data/5S/5SZZ-GDP/5SZZ-GDP_decoy_scores.csv |
5S4L-WV1 | data/5S/5S4L-WV1/5S4L-WV1_ligand.pdbqt | data/5S/5S4L-WV1/5S4L-WV1_target.pdbqt | data/5S/5S4L-WV1/5S4L-WV1_decoys.pdbqt | data/5S/5S4L-WV1/5S4L-WV1_decoy_scores.csv |
5S8V-Y1A | data/5S/5S8V-Y1A/5S8V-Y1A_ligand.pdbqt | data/5S/5S8V-Y1A/5S8V-Y1A_target.pdbqt | data/5S/5S8V-Y1A/5S8V-Y1A_decoys.pdbqt | data/5S/5S8V-Y1A/5S8V-Y1A_decoy_scores.csv |
5SCC-I8Q | data/5S/5SCC-I8Q/5SCC-I8Q_ligand.pdbqt | data/5S/5SCC-I8Q/5SCC-I8Q_target.pdbqt | data/5S/5SCC-I8Q/5SCC-I8Q_decoys.pdbqt | data/5S/5SCC-I8Q/5SCC-I8Q_decoy_scores.csv |
5SF4-IJD | data/5S/5SF4-IJD/5SF4-IJD_ligand.pdbqt | data/5S/5SF4-IJD/5SF4-IJD_target.pdbqt | data/5S/5SF4-IJD/5SF4-IJD_decoys.pdbqt | data/5S/5SF4-IJD/5SF4-IJD_decoy_scores.csv |
5SHE-JD6 | data/5S/5SHE-JD6/5SHE-JD6_ligand.pdbqt | data/5S/5SHE-JD6/5SHE-JD6_target.pdbqt | data/5S/5SHE-JD6/5SHE-JD6_decoys.pdbqt | data/5S/5SHE-JD6/5SHE-JD6_decoy_scores.csv |
5S3O-W1Y | data/5S/5S3O-W1Y/5S3O-W1Y_ligand.pdbqt | data/5S/5S3O-W1Y/5S3O-W1Y_target.pdbqt | data/5S/5S3O-W1Y/5S3O-W1Y_decoys.pdbqt | data/5S/5S3O-W1Y/5S3O-W1Y_decoy_scores.csv |
5S70-WUS | data/5S/5S70-WUS/5S70-WUS_ligand.pdbqt | data/5S/5S70-WUS/5S70-WUS_target.pdbqt | data/5S/5S70-WUS/5S70-WUS_decoys.pdbqt | data/5S/5S70-WUS/5S70-WUS_decoy_scores.csv |
5S8Z-Y1M | data/5S/5S8Z-Y1M/5S8Z-Y1M_ligand.pdbqt | data/5S/5S8Z-Y1M/5S8Z-Y1M_target.pdbqt | data/5S/5S8Z-Y1M/5S8Z-Y1M_decoys.pdbqt | data/5S/5S8Z-Y1M/5S8Z-Y1M_decoy_scores.csv |
5SK6-KC9 | data/5S/5SK6-KC9/5SK6-KC9_ligand.pdbqt | data/5S/5SK6-KC9/5SK6-KC9_target.pdbqt | data/5S/5SK6-KC9/5SK6-KC9_decoys.pdbqt | data/5S/5SK6-KC9/5SK6-KC9_decoy_scores.csv |
5S4O-GTP | data/5S/5S4O-GTP/5S4O-GTP_ligand.pdbqt | data/5S/5S4O-GTP/5S4O-GTP_target.pdbqt | data/5S/5S4O-GTP/5S4O-GTP_decoys.pdbqt | data/5S/5S4O-GTP/5S4O-GTP_decoy_scores.csv |
5S1U-WQM | data/5S/5S1U-WQM/5S1U-WQM_ligand.pdbqt | data/5S/5S1U-WQM/5S1U-WQM_target.pdbqt | data/5S/5S1U-WQM/5S1U-WQM_decoys.pdbqt | data/5S/5S1U-WQM/5S1U-WQM_decoy_scores.csv |
5S31-W0S | data/5S/5S31-W0S/5S31-W0S_ligand.pdbqt | data/5S/5S31-W0S/5S31-W0S_target.pdbqt | data/5S/5S31-W0S/5S31-W0S_decoys.pdbqt | data/5S/5S31-W0S/5S31-W0S_decoy_scores.csv |
5SEP-IGI | data/5S/5SEP-IGI/5SEP-IGI_ligand.pdbqt | data/5S/5SEP-IGI/5SEP-IGI_target.pdbqt | data/5S/5SEP-IGI/5SEP-IGI_decoys.pdbqt | data/5S/5SEP-IGI/5SEP-IGI_decoy_scores.csv |
5S8C-RYD | data/5S/5S8C-RYD/5S8C-RYD_ligand.pdbqt | data/5S/5S8C-RYD/5S8C-RYD_target.pdbqt | data/5S/5S8C-RYD/5S8C-RYD_decoys.pdbqt | data/5S/5S8C-RYD/5S8C-RYD_decoy_scores.csv |
5SBL-T6J | data/5S/5SBL-T6J/5SBL-T6J_ligand.pdbqt | data/5S/5SBL-T6J/5SBL-T6J_target.pdbqt | data/5S/5SBL-T6J/5SBL-T6J_decoys.pdbqt | data/5S/5SBL-T6J/5SBL-T6J_decoy_scores.csv |
5S7P-LU8 | data/5S/5S7P-LU8/5S7P-LU8_ligand.pdbqt | data/5S/5S7P-LU8/5S7P-LU8_target.pdbqt | data/5S/5S7P-LU8/5S7P-LU8_decoys.pdbqt | data/5S/5S7P-LU8/5S7P-LU8_decoy_scores.csv |
5SC7-W2M | data/5S/5SC7-W2M/5SC7-W2M_ligand.pdbqt | data/5S/5SC7-W2M/5SC7-W2M_target.pdbqt | data/5S/5SC7-W2M/5SC7-W2M_decoys.pdbqt | data/5S/5SC7-W2M/5SC7-W2M_decoy_scores.csv |
5SK5-JKO | data/5S/5SK5-JKO/5SK5-JKO_ligand.pdbqt | data/5S/5SK5-JKO/5SK5-JKO_target.pdbqt | data/5S/5SK5-JKO/5SK5-JKO_decoys.pdbqt | data/5S/5SK5-JKO/5SK5-JKO_decoy_scores.csv |
5S54-WLS | data/5S/5S54-WLS/5S54-WLS_ligand.pdbqt | data/5S/5S54-WLS/5S54-WLS_target.pdbqt | data/5S/5S54-WLS/5S54-WLS_decoys.pdbqt | data/5S/5S54-WLS/5S54-WLS_decoy_scores.csv |
5SE5-IEH | data/5S/5SE5-IEH/5SE5-IEH_ligand.pdbqt | data/5S/5SE5-IEH/5SE5-IEH_target.pdbqt | data/5S/5SE5-IEH/5SE5-IEH_decoys.pdbqt | data/5S/5SE5-IEH/5SE5-IEH_decoy_scores.csv |
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