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 ⌀ |
|---|---|---|---|---|
3P9C-SAH | data/3P/3P9C-SAH/3P9C-SAH_ligand.pdbqt | data/3P/3P9C-SAH/3P9C-SAH_target.pdbqt | data/3P/3P9C-SAH/3P9C-SAH_decoys.pdbqt | data/3P/3P9C-SAH/3P9C-SAH_decoy_scores.csv |
3PXW-PG6 | data/3P/3PXW-PG6/3PXW-PG6_ligand.pdbqt | data/3P/3PXW-PG6/3PXW-PG6_target.pdbqt | data/3P/3PXW-PG6/3PXW-PG6_decoys.pdbqt | data/3P/3PXW-PG6/3PXW-PG6_decoy_scores.csv |
3PAA-PMP | data/3P/3PAA-PMP/3PAA-PMP_ligand.pdbqt | data/3P/3PAA-PMP/3PAA-PMP_target.pdbqt | data/3P/3PAA-PMP/3PAA-PMP_decoys.pdbqt | data/3P/3PAA-PMP/3PAA-PMP_decoy_scores.csv |
3P86-STU | data/3P/3P86-STU/3P86-STU_ligand.pdbqt | data/3P/3P86-STU/3P86-STU_target.pdbqt | data/3P/3P86-STU/3P86-STU_decoys.pdbqt | data/3P/3P86-STU/3P86-STU_decoy_scores.csv |
3PGS-C8E | data/3P/3PGS-C8E/3PGS-C8E_ligand.pdbqt | data/3P/3PGS-C8E/3PGS-C8E_target.pdbqt | data/3P/3PGS-C8E/3PGS-C8E_decoys.pdbqt | data/3P/3PGS-C8E/3PGS-C8E_decoy_scores.csv |
3P5L-IT5 | data/3P/3P5L-IT5/3P5L-IT5_ligand.pdbqt | data/3P/3P5L-IT5/3P5L-IT5_target.pdbqt | data/3P/3P5L-IT5/3P5L-IT5_decoys.pdbqt | data/3P/3P5L-IT5/3P5L-IT5_decoy_scores.csv |
3PLL-F06 | data/3P/3PLL-F06/3PLL-F06_ligand.pdbqt | data/3P/3PLL-F06/3PLL-F06_target.pdbqt | data/3P/3PLL-F06/3PLL-F06_decoys.pdbqt | data/3P/3PLL-F06/3PLL-F06_decoy_scores.csv |
3PTY-AFO | data/3P/3PTY-AFO/3PTY-AFO_ligand.pdbqt | data/3P/3PTY-AFO/3PTY-AFO_target.pdbqt | data/3P/3PTY-AFO/3PTY-AFO_decoys.pdbqt | data/3P/3PTY-AFO/3PTY-AFO_decoy_scores.csv |
3PEN-5GP | data/3P/3PEN-5GP/3PEN-5GP_ligand.pdbqt | data/3P/3PEN-5GP/3PEN-5GP_target.pdbqt | data/3P/3PEN-5GP/3PEN-5GP_decoys.pdbqt | data/3P/3PEN-5GP/3PEN-5GP_decoy_scores.csv |
3PHB-IM5 | data/3P/3PHB-IM5/3PHB-IM5_ligand.pdbqt | data/3P/3PHB-IM5/3PHB-IM5_target.pdbqt | data/3P/3PHB-IM5/3PHB-IM5_decoys.pdbqt | data/3P/3PHB-IM5/3PHB-IM5_decoy_scores.csv |
3PVG-K68 | data/3P/3PVG-K68/3PVG-K68_ligand.pdbqt | data/3P/3PVG-K68/3PVG-K68_target.pdbqt | data/3P/3PVG-K68/3PVG-K68_decoys.pdbqt | data/3P/3PVG-K68/3PVG-K68_decoy_scores.csv |
3P76-P76 | data/3P/3P76-P76/3P76-P76_ligand.pdbqt | data/3P/3P76-P76/3P76-P76_target.pdbqt | data/3P/3P76-P76/3P76-P76_decoys.pdbqt | data/3P/3P76-P76/3P76-P76_decoy_scores.csv |
3PCU-LX8 | data/3P/3PCU-LX8/3PCU-LX8_ligand.pdbqt | data/3P/3PCU-LX8/3PCU-LX8_target.pdbqt | data/3P/3PCU-LX8/3PCU-LX8_decoys.pdbqt | data/3P/3PCU-LX8/3PCU-LX8_decoy_scores.csv |
3PEQ-JZR | data/3P/3PEQ-JZR/3PEQ-JZR_ligand.pdbqt | data/3P/3PEQ-JZR/3PEQ-JZR_target.pdbqt | data/3P/3PEQ-JZR/3PEQ-JZR_decoys.pdbqt | data/3P/3PEQ-JZR/3PEQ-JZR_decoy_scores.csv |
3PQF-NAD | data/3P/3PQF-NAD/3PQF-NAD_ligand.pdbqt | data/3P/3PQF-NAD/3PQF-NAD_target.pdbqt | data/3P/3PQF-NAD/3PQF-NAD_decoys.pdbqt | data/3P/3PQF-NAD/3PQF-NAD_decoy_scores.csv |
3PNF-H4B | data/3P/3PNF-H4B/3PNF-H4B_ligand.pdbqt | data/3P/3PNF-H4B/3PNF-H4B_target.pdbqt | data/3P/3PNF-H4B/3PNF-H4B_decoys.pdbqt | data/3P/3PNF-H4B/3PNF-H4B_decoy_scores.csv |
3PNE-8AX | data/3P/3PNE-8AX/3PNE-8AX_ligand.pdbqt | data/3P/3PNE-8AX/3PNE-8AX_target.pdbqt | data/3P/3PNE-8AX/3PNE-8AX_decoys.pdbqt | data/3P/3PNE-8AX/3PNE-8AX_decoy_scores.csv |
3PYY-3YY | data/3P/3PYY-3YY/3PYY-3YY_ligand.pdbqt | data/3P/3PYY-3YY/3PYY-3YY_target.pdbqt | data/3P/3PYY-3YY/3PYY-3YY_decoys.pdbqt | data/3P/3PYY-3YY/3PYY-3YY_decoy_scores.csv |
3PI0-F91 | data/3P/3PI0-F91/3PI0-F91_ligand.pdbqt | data/3P/3PI0-F91/3PI0-F91_target.pdbqt | data/3P/3PI0-F91/3PI0-F91_decoys.pdbqt | data/3P/3PI0-F91/3PI0-F91_decoy_scores.csv |
3PFT-FMN | data/3P/3PFT-FMN/3PFT-FMN_ligand.pdbqt | data/3P/3PFT-FMN/3PFT-FMN_target.pdbqt | data/3P/3PFT-FMN/3PFT-FMN_decoys.pdbqt | data/3P/3PFT-FMN/3PFT-FMN_decoy_scores.csv |
3PD6-KYN | data/3P/3PD6-KYN/3PD6-KYN_ligand.pdbqt | data/3P/3PD6-KYN/3PD6-KYN_target.pdbqt | data/3P/3PD6-KYN/3PD6-KYN_decoys.pdbqt | data/3P/3PD6-KYN/3PD6-KYN_decoy_scores.csv |
3PKH-AZA | data/3P/3PKH-AZA/3PKH-AZA_ligand.pdbqt | data/3P/3PKH-AZA/3PKH-AZA_target.pdbqt | null | null |
3PB3-SAH | data/3P/3PB3-SAH/3PB3-SAH_ligand.pdbqt | data/3P/3PB3-SAH/3PB3-SAH_target.pdbqt | data/3P/3PB3-SAH/3PB3-SAH_decoys.pdbqt | data/3P/3PB3-SAH/3PB3-SAH_decoy_scores.csv |
3PBD-F05 | data/3P/3PBD-F05/3PBD-F05_ligand.pdbqt | data/3P/3PBD-F05/3PBD-F05_target.pdbqt | data/3P/3PBD-F05/3PBD-F05_decoys.pdbqt | data/3P/3PBD-F05/3PBD-F05_decoy_scores.csv |
3PJ3-04L | data/3P/3PJ3-04L/3PJ3-04L_ligand.pdbqt | data/3P/3PJ3-04L/3PJ3-04L_target.pdbqt | data/3P/3PJ3-04L/3PJ3-04L_decoys.pdbqt | data/3P/3PJ3-04L/3PJ3-04L_decoy_scores.csv |
3PLH-AZA | data/3P/3PLH-AZA/3PLH-AZA_ligand.pdbqt | data/3P/3PLH-AZA/3PLH-AZA_target.pdbqt | null | null |
3PDQ-KC6 | data/3P/3PDQ-KC6/3PDQ-KC6_ligand.pdbqt | data/3P/3PDQ-KC6/3PDQ-KC6_target.pdbqt | data/3P/3PDQ-KC6/3PDQ-KC6_decoys.pdbqt | data/3P/3PDQ-KC6/3PDQ-KC6_decoy_scores.csv |
3P7N-FMN | data/3P/3P7N-FMN/3P7N-FMN_ligand.pdbqt | data/3P/3P7N-FMN/3P7N-FMN_target.pdbqt | data/3P/3P7N-FMN/3P7N-FMN_decoys.pdbqt | data/3P/3P7N-FMN/3P7N-FMN_decoy_scores.csv |
3P7Y-FMN | data/3P/3P7Y-FMN/3P7Y-FMN_ligand.pdbqt | data/3P/3P7Y-FMN/3P7Y-FMN_target.pdbqt | data/3P/3P7Y-FMN/3P7Y-FMN_decoys.pdbqt | data/3P/3P7Y-FMN/3P7Y-FMN_decoy_scores.csv |
3P9T-TCL | data/3P/3P9T-TCL/3P9T-TCL_ligand.pdbqt | data/3P/3P9T-TCL/3P9T-TCL_target.pdbqt | data/3P/3P9T-TCL/3P9T-TCL_decoys.pdbqt | data/3P/3P9T-TCL/3P9T-TCL_decoy_scores.csv |
3P0M-4SB | data/3P/3P0M-4SB/3P0M-4SB_ligand.pdbqt | data/3P/3P0M-4SB/3P0M-4SB_target.pdbqt | data/3P/3P0M-4SB/3P0M-4SB_decoys.pdbqt | data/3P/3P0M-4SB/3P0M-4SB_decoy_scores.csv |
3PMY-41L | data/3P/3PMY-41L/3PMY-41L_ligand.pdbqt | data/3P/3PMY-41L/3PMY-41L_target.pdbqt | data/3P/3PMY-41L/3PMY-41L_decoys.pdbqt | data/3P/3PMY-41L/3PMY-41L_decoy_scores.csv |
3PMD-11A | data/3P/3PMD-11A/3PMD-11A_ligand.pdbqt | data/3P/3PMD-11A/3PMD-11A_target.pdbqt | data/3P/3PMD-11A/3PMD-11A_decoys.pdbqt | data/3P/3PMD-11A/3PMD-11A_decoy_scores.csv |
3PKS-AZA | data/3P/3PKS-AZA/3PKS-AZA_ligand.pdbqt | data/3P/3PKS-AZA/3PKS-AZA_target.pdbqt | data/3P/3PKS-AZA/3PKS-AZA_decoys.pdbqt | data/3P/3PKS-AZA/3PKS-AZA_decoy_scores.csv |
3P0E-BAU | data/3P/3P0E-BAU/3P0E-BAU_ligand.pdbqt | data/3P/3P0E-BAU/3P0E-BAU_target.pdbqt | data/3P/3P0E-BAU/3P0E-BAU_decoys.pdbqt | data/3P/3P0E-BAU/3P0E-BAU_decoy_scores.csv |
3PKE-Y10 | data/3P/3PKE-Y10/3PKE-Y10_ligand.pdbqt | data/3P/3PKE-Y10/3PKE-Y10_target.pdbqt | data/3P/3PKE-Y10/3PKE-Y10_decoys.pdbqt | data/3P/3PKE-Y10/3PKE-Y10_decoy_scores.csv |
3PEV-IHP | data/3P/3PEV-IHP/3PEV-IHP_ligand.pdbqt | data/3P/3PEV-IHP/3PEV-IHP_target.pdbqt | data/3P/3PEV-IHP/3PEV-IHP_decoys.pdbqt | data/3P/3PEV-IHP/3PEV-IHP_decoy_scores.csv |
3P80-FMN | data/3P/3P80-FMN/3P80-FMN_ligand.pdbqt | data/3P/3P80-FMN/3P80-FMN_target.pdbqt | data/3P/3P80-FMN/3P80-FMN_decoys.pdbqt | data/3P/3P80-FMN/3P80-FMN_decoy_scores.csv |
3PXY-JWS | data/3P/3PXY-JWS/3PXY-JWS_ligand.pdbqt | data/3P/3PXY-JWS/3PXY-JWS_target.pdbqt | data/3P/3PXY-JWS/3PXY-JWS_decoys.pdbqt | data/3P/3PXY-JWS/3PXY-JWS_decoy_scores.csv |
3PMJ-PMJ | data/3P/3PMJ-PMJ/3PMJ-PMJ_ligand.pdbqt | data/3P/3PMJ-PMJ/3PMJ-PMJ_target.pdbqt | data/3P/3PMJ-PMJ/3PMJ-PMJ_decoys.pdbqt | data/3P/3PMJ-PMJ/3PMJ-PMJ_decoy_scores.csv |
3P80-P80 | data/3P/3P80-P80/3P80-P80_ligand.pdbqt | data/3P/3P80-P80/3P80-P80_target.pdbqt | data/3P/3P80-P80/3P80-P80_decoys.pdbqt | data/3P/3P80-P80/3P80-P80_decoy_scores.csv |
3PGK-3PG | data/3P/3PGK-3PG/3PGK-3PG_ligand.pdbqt | data/3P/3PGK-3PG/3PGK-3PG_target.pdbqt | data/3P/3PGK-3PG/3PGK-3PG_decoys.pdbqt | data/3P/3PGK-3PG/3PGK-3PG_decoy_scores.csv |
3PHH-SKM | data/3P/3PHH-SKM/3PHH-SKM_ligand.pdbqt | data/3P/3PHH-SKM/3PHH-SKM_target.pdbqt | data/3P/3PHH-SKM/3PHH-SKM_decoys.pdbqt | data/3P/3PHH-SKM/3PHH-SKM_decoy_scores.csv |
3PJU-C2E | data/3P/3PJU-C2E/3PJU-C2E_ligand.pdbqt | data/3P/3PJU-C2E/3PJU-C2E_target.pdbqt | data/3P/3PJU-C2E/3PJU-C2E_decoys.pdbqt | data/3P/3PJU-C2E/3PJU-C2E_decoy_scores.csv |
3PPR-4CS | data/3P/3PPR-4CS/3PPR-4CS_ligand.pdbqt | data/3P/3PPR-4CS/3PPR-4CS_target.pdbqt | data/3P/3PPR-4CS/3PPR-4CS_decoys.pdbqt | data/3P/3PPR-4CS/3PPR-4CS_decoy_scores.csv |
3PVU-QRW | data/3P/3PVU-QRW/3PVU-QRW_ligand.pdbqt | data/3P/3PVU-QRW/3PVU-QRW_target.pdbqt | data/3P/3PVU-QRW/3PVU-QRW_decoys.pdbqt | data/3P/3PVU-QRW/3PVU-QRW_decoy_scores.csv |
3PC4-KOU | data/3P/3PC4-KOU/3PC4-KOU_ligand.pdbqt | data/3P/3PC4-KOU/3PC4-KOU_target.pdbqt | data/3P/3PC4-KOU/3PC4-KOU_decoys.pdbqt | data/3P/3PC4-KOU/3PC4-KOU_decoy_scores.csv |
3PA3-C70 | data/3P/3PA3-C70/3PA3-C70_ligand.pdbqt | data/3P/3PA3-C70/3PA3-C70_target.pdbqt | data/3P/3PA3-C70/3PA3-C70_decoys.pdbqt | data/3P/3PA3-C70/3PA3-C70_decoy_scores.csv |
3PFB-ZYC | data/3P/3PFB-ZYC/3PFB-ZYC_ligand.pdbqt | data/3P/3PFB-ZYC/3PFB-ZYC_target.pdbqt | data/3P/3PFB-ZYC/3PFB-ZYC_decoys.pdbqt | data/3P/3PFB-ZYC/3PFB-ZYC_decoy_scores.csv |
3PK4-AZA | data/3P/3PK4-AZA/3PK4-AZA_ligand.pdbqt | data/3P/3PK4-AZA/3PK4-AZA_target.pdbqt | null | null |
3PFP-035 | data/3P/3PFP-035/3PFP-035_ligand.pdbqt | data/3P/3PFP-035/3PFP-035_target.pdbqt | data/3P/3PFP-035/3PFP-035_decoys.pdbqt | data/3P/3PFP-035/3PFP-035_decoy_scores.csv |
3PLK-ANH | data/3P/3PLK-ANH/3PLK-ANH_ligand.pdbqt | data/3P/3PLK-ANH/3PLK-ANH_target.pdbqt | data/3P/3PLK-ANH/3PLK-ANH_decoys.pdbqt | data/3P/3PLK-ANH/3PLK-ANH_decoy_scores.csv |
3PG9-TYR | data/3P/3PG9-TYR/3PG9-TYR_ligand.pdbqt | data/3P/3PG9-TYR/3PG9-TYR_target.pdbqt | data/3P/3PG9-TYR/3PG9-TYR_decoys.pdbqt | data/3P/3PG9-TYR/3PG9-TYR_decoy_scores.csv |
3PCK-NNO | data/3P/3PCK-NNO/3PCK-NNO_ligand.pdbqt | data/3P/3PCK-NNO/3PCK-NNO_target.pdbqt | data/3P/3PCK-NNO/3PCK-NNO_decoys.pdbqt | data/3P/3PCK-NNO/3PCK-NNO_decoy_scores.csv |
3PRC-NS5 | data/3P/3PRC-NS5/3PRC-NS5_ligand.pdbqt | data/3P/3PRC-NS5/3PRC-NS5_target.pdbqt | data/3P/3PRC-NS5/3PRC-NS5_decoys.pdbqt | data/3P/3PRC-NS5/3PRC-NS5_decoy_scores.csv |
3PX8-JP2 | data/3P/3PX8-JP2/3PX8-JP2_ligand.pdbqt | data/3P/3PX8-JP2/3PX8-JP2_target.pdbqt | data/3P/3PX8-JP2/3PX8-JP2_decoys.pdbqt | data/3P/3PX8-JP2/3PX8-JP2_decoy_scores.csv |
3PL8-G3F | data/3P/3PL8-G3F/3PL8-G3F_ligand.pdbqt | data/3P/3PL8-G3F/3PL8-G3F_target.pdbqt | data/3P/3PL8-G3F/3PL8-G3F_decoys.pdbqt | data/3P/3PL8-G3F/3PL8-G3F_decoy_scores.csv |
3PLG-AZA | data/3P/3PLG-AZA/3PLG-AZA_ligand.pdbqt | data/3P/3PLG-AZA/3PLG-AZA_target.pdbqt | null | null |
3P8Z-36A | data/3P/3P8Z-36A/3P8Z-36A_ligand.pdbqt | data/3P/3P8Z-36A/3P8Z-36A_target.pdbqt | data/3P/3P8Z-36A/3P8Z-36A_decoys.pdbqt | data/3P/3P8Z-36A/3P8Z-36A_decoy_scores.csv |
3PR2-F9F | data/3P/3PR2-F9F/3PR2-F9F_ligand.pdbqt | data/3P/3PR2-F9F/3PR2-F9F_target.pdbqt | null | null |
3PCG-4HP | data/3P/3PCG-4HP/3PCG-4HP_ligand.pdbqt | data/3P/3PCG-4HP/3PCG-4HP_target.pdbqt | data/3P/3PCG-4HP/3PCG-4HP_decoys.pdbqt | data/3P/3PCG-4HP/3PCG-4HP_decoy_scores.csv |
3PS2-ZH4 | data/3P/3PS2-ZH4/3PS2-ZH4_ligand.pdbqt | data/3P/3PS2-ZH4/3PS2-ZH4_target.pdbqt | data/3P/3PS2-ZH4/3PS2-ZH4_decoys.pdbqt | data/3P/3PS2-ZH4/3PS2-ZH4_decoy_scores.csv |
3PTZ-UDX | data/3P/3PTZ-UDX/3PTZ-UDX_ligand.pdbqt | data/3P/3PTZ-UDX/3PTZ-UDX_target.pdbqt | data/3P/3PTZ-UDX/3PTZ-UDX_decoys.pdbqt | data/3P/3PTZ-UDX/3PTZ-UDX_decoy_scores.csv |
3PNG-8CX | data/3P/3PNG-8CX/3PNG-8CX_ligand.pdbqt | data/3P/3PNG-8CX/3PNG-8CX_target.pdbqt | data/3P/3PNG-8CX/3PNG-8CX_decoys.pdbqt | data/3P/3PNG-8CX/3PNG-8CX_decoy_scores.csv |
3P6G-IZP | data/3P/3P6G-IZP/3P6G-IZP_ligand.pdbqt | data/3P/3P6G-IZP/3P6G-IZP_target.pdbqt | data/3P/3P6G-IZP/3P6G-IZP_decoys.pdbqt | data/3P/3P6G-IZP/3P6G-IZP_decoy_scores.csv |
3PKU-AZA | data/3P/3PKU-AZA/3PKU-AZA_ligand.pdbqt | data/3P/3PKU-AZA/3PKU-AZA_target.pdbqt | data/3P/3PKU-AZA/3PKU-AZA_decoys.pdbqt | data/3P/3PKU-AZA/3PKU-AZA_decoy_scores.csv |
3PFR-GKR | data/3P/3PFR-GKR/3PFR-GKR_ligand.pdbqt | data/3P/3PFR-GKR/3PFR-GKR_target.pdbqt | data/3P/3PFR-GKR/3PFR-GKR_decoys.pdbqt | data/3P/3PFR-GKR/3PFR-GKR_decoy_scores.csv |
3PRC-LDA | data/3P/3PRC-LDA/3PRC-LDA_ligand.pdbqt | data/3P/3PRC-LDA/3PRC-LDA_target.pdbqt | data/3P/3PRC-LDA/3PRC-LDA_decoys.pdbqt | data/3P/3PRC-LDA/3PRC-LDA_decoy_scores.csv |
3PMV-557 | data/3P/3PMV-557/3PMV-557_ligand.pdbqt | data/3P/3PMV-557/3PMV-557_target.pdbqt | data/3P/3PMV-557/3PMV-557_decoys.pdbqt | data/3P/3PMV-557/3PMV-557_decoy_scores.csv |
3P6P-A6B | data/3P/3P6P-A6B/3P6P-A6B_ligand.pdbqt | data/3P/3P6P-A6B/3P6P-A6B_target.pdbqt | data/3P/3P6P-A6B/3P6P-A6B_decoys.pdbqt | data/3P/3P6P-A6B/3P6P-A6B_decoy_scores.csv |
3PAH-XDE | data/3P/3PAH-XDE/3PAH-XDE_ligand.pdbqt | data/3P/3PAH-XDE/3PAH-XDE_target.pdbqt | data/3P/3PAH-XDE/3PAH-XDE_decoys.pdbqt | data/3P/3PAH-XDE/3PAH-XDE_decoy_scores.csv |
3PRO-AES | data/3P/3PRO-AES/3PRO-AES_ligand.pdbqt | data/3P/3PRO-AES/3PRO-AES_target.pdbqt | data/3P/3PRO-AES/3PRO-AES_decoys.pdbqt | data/3P/3PRO-AES/3PRO-AES_decoy_scores.csv |
3P6N-DSO | data/3P/3P6N-DSO/3P6N-DSO_ligand.pdbqt | data/3P/3P6N-DSO/3P6N-DSO_target.pdbqt | data/3P/3P6N-DSO/3P6N-DSO_decoys.pdbqt | data/3P/3P6N-DSO/3P6N-DSO_decoy_scores.csv |
3PDB-PMP | data/3P/3PDB-PMP/3PDB-PMP_ligand.pdbqt | data/3P/3PDB-PMP/3PDB-PMP_target.pdbqt | data/3P/3PDB-PMP/3PDB-PMP_decoys.pdbqt | data/3P/3PDB-PMP/3PDB-PMP_decoy_scores.csv |
3PLN-U5P | data/3P/3PLN-U5P/3PLN-U5P_ligand.pdbqt | data/3P/3PLN-U5P/3PLN-U5P_target.pdbqt | data/3P/3PLN-U5P/3PLN-U5P_decoys.pdbqt | data/3P/3PLN-U5P/3PLN-U5P_decoy_scores.csv |
3PXZ-JWS | data/3P/3PXZ-JWS/3PXZ-JWS_ligand.pdbqt | data/3P/3PXZ-JWS/3PXZ-JWS_target.pdbqt | data/3P/3PXZ-JWS/3PXZ-JWS_decoys.pdbqt | data/3P/3PXZ-JWS/3PXZ-JWS_decoy_scores.csv |
3PYP-HC4 | data/3P/3PYP-HC4/3PYP-HC4_ligand.pdbqt | data/3P/3PYP-HC4/3PYP-HC4_target.pdbqt | data/3P/3PYP-HC4/3PYP-HC4_decoys.pdbqt | data/3P/3PYP-HC4/3PYP-HC4_decoy_scores.csv |
3PGI-F41 | data/3P/3PGI-F41/3PGI-F41_ligand.pdbqt | data/3P/3PGI-F41/3PGI-F41_target.pdbqt | data/3P/3PGI-F41/3PGI-F41_decoys.pdbqt | data/3P/3PGI-F41/3PGI-F41_decoy_scores.csv |
3PEB-NHE | data/3P/3PEB-NHE/3PEB-NHE_ligand.pdbqt | data/3P/3PEB-NHE/3PEB-NHE_target.pdbqt | data/3P/3PEB-NHE/3PEB-NHE_decoys.pdbqt | data/3P/3PEB-NHE/3PEB-NHE_decoy_scores.csv |
3PMV-GLU | data/3P/3PMV-GLU/3PMV-GLU_ligand.pdbqt | data/3P/3PMV-GLU/3PMV-GLU_target.pdbqt | data/3P/3PMV-GLU/3PMV-GLU_decoys.pdbqt | data/3P/3PMV-GLU/3PMV-GLU_decoy_scores.csv |
3P32-GDP | data/3P/3P32-GDP/3P32-GDP_ligand.pdbqt | data/3P/3P32-GDP/3P32-GDP_target.pdbqt | data/3P/3P32-GDP/3P32-GDP_decoys.pdbqt | data/3P/3P32-GDP/3P32-GDP_decoy_scores.csv |
3PHQ-KDO | data/3P/3PHQ-KDO/3PHQ-KDO_ligand.pdbqt | data/3P/3PHQ-KDO/3PHQ-KDO_target.pdbqt | data/3P/3PHQ-KDO/3PHQ-KDO_decoys.pdbqt | data/3P/3PHQ-KDO/3PHQ-KDO_decoy_scores.csv |
3P9I-SAH | data/3P/3P9I-SAH/3P9I-SAH_ligand.pdbqt | data/3P/3P9I-SAH/3P9I-SAH_target.pdbqt | data/3P/3P9I-SAH/3P9I-SAH_decoys.pdbqt | data/3P/3P9I-SAH/3P9I-SAH_decoy_scores.csv |
3PGH-FLP | data/3P/3PGH-FLP/3PGH-FLP_ligand.pdbqt | data/3P/3PGH-FLP/3PGH-FLP_target.pdbqt | data/3P/3PGH-FLP/3PGH-FLP_decoys.pdbqt | data/3P/3PGH-FLP/3PGH-FLP_decoy_scores.csv |
3PS2-UKW | data/3P/3PS2-UKW/3PS2-UKW_ligand.pdbqt | data/3P/3PS2-UKW/3PS2-UKW_target.pdbqt | data/3P/3PS2-UKW/3PS2-UKW_decoys.pdbqt | data/3P/3PS2-UKW/3PS2-UKW_decoy_scores.csv |
3P2E-SAH | data/3P/3P2E-SAH/3P2E-SAH_ligand.pdbqt | data/3P/3P2E-SAH/3P2E-SAH_target.pdbqt | data/3P/3P2E-SAH/3P2E-SAH_decoys.pdbqt | data/3P/3P2E-SAH/3P2E-SAH_decoy_scores.csv |
3PNA-CMP | data/3P/3PNA-CMP/3PNA-CMP_ligand.pdbqt | data/3P/3PNA-CMP/3PNA-CMP_target.pdbqt | data/3P/3PNA-CMP/3PNA-CMP_decoys.pdbqt | data/3P/3PNA-CMP/3PNA-CMP_decoy_scores.csv |
3P3Z-P3Z | data/3P/3P3Z-P3Z/3P3Z-P3Z_ligand.pdbqt | data/3P/3P3Z-P3Z/3P3Z-P3Z_target.pdbqt | data/3P/3P3Z-P3Z/3P3Z-P3Z_decoys.pdbqt | data/3P/3P3Z-P3Z/3P3Z-P3Z_decoy_scores.csv |
3PK3-AZA | data/3P/3PK3-AZA/3PK3-AZA_ligand.pdbqt | data/3P/3PK3-AZA/3PK3-AZA_target.pdbqt | data/3P/3PK3-AZA/3PK3-AZA_decoys.pdbqt | data/3P/3PK3-AZA/3PK3-AZA_decoy_scores.csv |
3P17-99P | data/3P/3P17-99P/3P17-99P_ligand.pdbqt | data/3P/3P17-99P/3P17-99P_target.pdbqt | data/3P/3P17-99P/3P17-99P_decoys.pdbqt | data/3P/3P17-99P/3P17-99P_decoy_scores.csv |
3PXS-PG6 | data/3P/3PXS-PG6/3PXS-PG6_ligand.pdbqt | data/3P/3PXS-PG6/3PXS-PG6_target.pdbqt | data/3P/3PXS-PG6/3PXS-PG6_decoys.pdbqt | data/3P/3PXS-PG6/3PXS-PG6_decoy_scores.csv |
3PO9-XPT | data/3P/3PO9-XPT/3PO9-XPT_ligand.pdbqt | data/3P/3PO9-XPT/3PO9-XPT_target.pdbqt | data/3P/3PO9-XPT/3PO9-XPT_decoys.pdbqt | data/3P/3PO9-XPT/3PO9-XPT_decoy_scores.csv |
3PCE-3HP | data/3P/3PCE-3HP/3PCE-3HP_ligand.pdbqt | data/3P/3PCE-3HP/3PCE-3HP_target.pdbqt | data/3P/3PCE-3HP/3PCE-3HP_decoys.pdbqt | data/3P/3PCE-3HP/3PCE-3HP_decoy_scores.csv |
3PY6-5GP | data/3P/3PY6-5GP/3PY6-5GP_ligand.pdbqt | data/3P/3PY6-5GP/3PY6-5GP_target.pdbqt | data/3P/3PY6-5GP/3PY6-5GP_decoys.pdbqt | data/3P/3PY6-5GP/3PY6-5GP_decoy_scores.csv |
3PX9-JP3 | data/3P/3PX9-JP3/3PX9-JP3_ligand.pdbqt | data/3P/3PX9-JP3/3PX9-JP3_target.pdbqt | data/3P/3PX9-JP3/3PX9-JP3_decoys.pdbqt | data/3P/3PX9-JP3/3PX9-JP3_decoy_scores.csv |
3PB9-1BN | data/3P/3PB9-1BN/3PB9-1BN_ligand.pdbqt | data/3P/3PB9-1BN/3PB9-1BN_target.pdbqt | data/3P/3PB9-1BN/3PB9-1BN_decoys.pdbqt | data/3P/3PB9-1BN/3PB9-1BN_decoy_scores.csv |
3PNL-ADP | data/3P/3PNL-ADP/3PNL-ADP_ligand.pdbqt | data/3P/3PNL-ADP/3PNL-ADP_target.pdbqt | data/3P/3PNL-ADP/3PNL-ADP_decoys.pdbqt | data/3P/3PNL-ADP/3PNL-ADP_decoy_scores.csv |
3P0F-BAU | data/3P/3P0F-BAU/3P0F-BAU_ligand.pdbqt | data/3P/3P0F-BAU/3P0F-BAU_target.pdbqt | data/3P/3P0F-BAU/3P0F-BAU_decoys.pdbqt | data/3P/3P0F-BAU/3P0F-BAU_decoy_scores.csv |
3PIZ-03C | data/3P/3PIZ-03C/3PIZ-03C_ligand.pdbqt | data/3P/3PIZ-03C/3PIZ-03C_target.pdbqt | data/3P/3PIZ-03C/3PIZ-03C_decoys.pdbqt | data/3P/3PIZ-03C/3PIZ-03C_decoy_scores.csv |
3PGS-LDA | data/3P/3PGS-LDA/3PGS-LDA_ligand.pdbqt | data/3P/3PGS-LDA/3PGS-LDA_target.pdbqt | data/3P/3PGS-LDA/3PGS-LDA_decoys.pdbqt | data/3P/3PGS-LDA/3PGS-LDA_decoy_scores.csv |
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