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 ⌀ |
|---|---|---|---|---|
5VV1-H4B | data/5V/5VV1-H4B/5VV1-H4B_ligand.pdbqt | data/5V/5VV1-H4B/5VV1-H4B_target.pdbqt | data/5V/5VV1-H4B/5VV1-H4B_decoys.pdbqt | data/5V/5VV1-H4B/5VV1-H4B_decoy_scores.csv |
5V22-SAH | data/5V/5V22-SAH/5V22-SAH_ligand.pdbqt | data/5V/5V22-SAH/5V22-SAH_target.pdbqt | data/5V/5V22-SAH/5V22-SAH_decoys.pdbqt | data/5V/5V22-SAH/5V22-SAH_decoy_scores.csv |
5VCM-UDP | data/5V/5VCM-UDP/5VCM-UDP_ligand.pdbqt | data/5V/5VCM-UDP/5VCM-UDP_target.pdbqt | data/5V/5VCM-UDP/5VCM-UDP_decoys.pdbqt | data/5V/5VCM-UDP/5VCM-UDP_decoy_scores.csv |
5V61-90A | data/5V/5V61-90A/5V61-90A_ligand.pdbqt | data/5V/5V61-90A/5V61-90A_target.pdbqt | data/5V/5V61-90A/5V61-90A_decoys.pdbqt | data/5V/5V61-90A/5V61-90A_decoy_scores.csv |
5VUN-H4B | data/5V/5VUN-H4B/5VUN-H4B_ligand.pdbqt | data/5V/5VUN-H4B/5VUN-H4B_target.pdbqt | data/5V/5VUN-H4B/5VUN-H4B_decoys.pdbqt | data/5V/5VUN-H4B/5VUN-H4B_decoy_scores.csv |
5V0V-8QS | data/5V/5V0V-8QS/5V0V-8QS_ligand.pdbqt | data/5V/5V0V-8QS/5V0V-8QS_target.pdbqt | data/5V/5V0V-8QS/5V0V-8QS_decoys.pdbqt | data/5V/5V0V-8QS/5V0V-8QS_decoy_scores.csv |
5VUS-9PM | data/5V/5VUS-9PM/5VUS-9PM_ligand.pdbqt | data/5V/5VUS-9PM/5VUS-9PM_target.pdbqt | data/5V/5VUS-9PM/5VUS-9PM_decoys.pdbqt | data/5V/5VUS-9PM/5VUS-9PM_decoy_scores.csv |
5VV8-9P7 | data/5V/5VV8-9P7/5VV8-9P7_ligand.pdbqt | data/5V/5VV8-9P7/5VV8-9P7_target.pdbqt | null | null |
5VUQ-P94 | data/5V/5VUQ-P94/5VUQ-P94_ligand.pdbqt | data/5V/5VUQ-P94/5VUQ-P94_target.pdbqt | data/5V/5VUQ-P94/5VUQ-P94_decoys.pdbqt | data/5V/5VUQ-P94/5VUQ-P94_decoy_scores.csv |
5VQX-9HY | data/5V/5VQX-9HY/5VQX-9HY_ligand.pdbqt | data/5V/5VQX-9HY/5VQX-9HY_target.pdbqt | data/5V/5VQX-9HY/5VQX-9HY_decoys.pdbqt | data/5V/5VQX-9HY/5VQX-9HY_decoy_scores.csv |
5V96-ADN | data/5V/5V96-ADN/5V96-ADN_ligand.pdbqt | data/5V/5V96-ADN/5V96-ADN_target.pdbqt | data/5V/5V96-ADN/5V96-ADN_decoys.pdbqt | data/5V/5V96-ADN/5V96-ADN_decoy_scores.csv |
5VQZ-9HY | data/5V/5VQZ-9HY/5VQZ-9HY_ligand.pdbqt | data/5V/5VQZ-9HY/5VQZ-9HY_target.pdbqt | data/5V/5VQZ-9HY/5VQZ-9HY_decoys.pdbqt | data/5V/5VQZ-9HY/5VQZ-9HY_decoy_scores.csv |
5VQ4-HCA | data/5V/5VQ4-HCA/5VQ4-HCA_ligand.pdbqt | data/5V/5VQ4-HCA/5VQ4-HCA_target.pdbqt | null | null |
5VFN-ME2 | data/5V/5VFN-ME2/5VFN-ME2_ligand.pdbqt | data/5V/5VFN-ME2/5VFN-ME2_target.pdbqt | data/5V/5VFN-ME2/5VFN-ME2_decoys.pdbqt | data/5V/5VFN-ME2/5VFN-ME2_decoy_scores.csv |
5V3X-I28 | data/5V/5V3X-I28/5V3X-I28_ligand.pdbqt | data/5V/5V3X-I28/5V3X-I28_target.pdbqt | data/5V/5V3X-I28/5V3X-I28_decoys.pdbqt | data/5V/5V3X-I28/5V3X-I28_decoy_scores.csv |
5VYT-FON | data/5V/5VYT-FON/5VYT-FON_ligand.pdbqt | data/5V/5VYT-FON/5VYT-FON_target.pdbqt | data/5V/5VYT-FON/5VYT-FON_decoys.pdbqt | data/5V/5VYT-FON/5VYT-FON_decoy_scores.csv |
5VSV-8KY | data/5V/5VSV-8KY/5VSV-8KY_ligand.pdbqt | data/5V/5VSV-8KY/5VSV-8KY_target.pdbqt | data/5V/5VSV-8KY/5VSV-8KY_decoys.pdbqt | data/5V/5VSV-8KY/5VSV-8KY_decoy_scores.csv |
5V0W-KFK | data/5V/5V0W-KFK/5V0W-KFK_ligand.pdbqt | data/5V/5V0W-KFK/5V0W-KFK_target.pdbqt | data/5V/5V0W-KFK/5V0W-KFK_decoys.pdbqt | data/5V/5V0W-KFK/5V0W-KFK_decoy_scores.csv |
5VYZ-ADP | data/5V/5VYZ-ADP/5VYZ-ADP_ligand.pdbqt | data/5V/5VYZ-ADP/5VYZ-ADP_target.pdbqt | data/5V/5VYZ-ADP/5VYZ-ADP_decoys.pdbqt | data/5V/5VYZ-ADP/5VYZ-ADP_decoy_scores.csv |
5V4A-UDP | data/5V/5V4A-UDP/5V4A-UDP_ligand.pdbqt | data/5V/5V4A-UDP/5V4A-UDP_target.pdbqt | data/5V/5V4A-UDP/5V4A-UDP_decoys.pdbqt | data/5V/5V4A-UDP/5V4A-UDP_decoy_scores.csv |
5VV6-H4B | data/5V/5VV6-H4B/5VV6-H4B_ligand.pdbqt | data/5V/5VV6-H4B/5VV6-H4B_target.pdbqt | null | null |
5V7I-8Z1 | data/5V/5V7I-8Z1/5V7I-8Z1_ligand.pdbqt | data/5V/5V7I-8Z1/5V7I-8Z1_target.pdbqt | data/5V/5V7I-8Z1/5V7I-8Z1_decoys.pdbqt | data/5V/5V7I-8Z1/5V7I-8Z1_decoy_scores.csv |
5VKR-APR | data/5V/5VKR-APR/5VKR-APR_ligand.pdbqt | data/5V/5VKR-APR/5VKR-APR_target.pdbqt | data/5V/5VKR-APR/5VKR-APR_decoys.pdbqt | data/5V/5VKR-APR/5VKR-APR_decoy_scores.csv |
5VJ5-PHN | data/5V/5VJ5-PHN/5VJ5-PHN_ligand.pdbqt | data/5V/5VJ5-PHN/5VJ5-PHN_target.pdbqt | data/5V/5VJ5-PHN/5VJ5-PHN_decoys.pdbqt | data/5V/5VJ5-PHN/5VJ5-PHN_decoy_scores.csv |
5VDP-1SY | data/5V/5VDP-1SY/5VDP-1SY_ligand.pdbqt | data/5V/5VDP-1SY/5VDP-1SY_target.pdbqt | data/5V/5VDP-1SY/5VDP-1SY_decoys.pdbqt | data/5V/5VDP-1SY/5VDP-1SY_decoy_scores.csv |
5V2Q-8VY | data/5V/5V2Q-8VY/5V2Q-8VY_ligand.pdbqt | data/5V/5V2Q-8VY/5V2Q-8VY_target.pdbqt | data/5V/5V2Q-8VY/5V2Q-8VY_decoys.pdbqt | data/5V/5V2Q-8VY/5V2Q-8VY_decoy_scores.csv |
5VUN-9OM | data/5V/5VUN-9OM/5VUN-9OM_ligand.pdbqt | data/5V/5VUN-9OM/5VUN-9OM_target.pdbqt | data/5V/5VUN-9OM/5VUN-9OM_decoys.pdbqt | data/5V/5VUN-9OM/5VUN-9OM_decoy_scores.csv |
5VQE-G2F | data/5V/5VQE-G2F/5VQE-G2F_ligand.pdbqt | data/5V/5VQE-G2F/5VQE-G2F_target.pdbqt | data/5V/5VQE-G2F/5VQE-G2F_decoys.pdbqt | data/5V/5VQE-G2F/5VQE-G2F_decoy_scores.csv |
5V4R-MGT | data/5V/5V4R-MGT/5V4R-MGT_ligand.pdbqt | data/5V/5V4R-MGT/5V4R-MGT_target.pdbqt | data/5V/5V4R-MGT/5V4R-MGT_decoys.pdbqt | data/5V/5V4R-MGT/5V4R-MGT_decoy_scores.csv |
5VD7-99V | data/5V/5VD7-99V/5VD7-99V_ligand.pdbqt | data/5V/5VD7-99V/5VD7-99V_target.pdbqt | data/5V/5VD7-99V/5VD7-99V_decoys.pdbqt | data/5V/5VD7-99V/5VD7-99V_decoy_scores.csv |
5VNX-BEN | data/5V/5VNX-BEN/5VNX-BEN_ligand.pdbqt | data/5V/5VNX-BEN/5VNX-BEN_target.pdbqt | data/5V/5VNX-BEN/5VNX-BEN_decoys.pdbqt | data/5V/5VNX-BEN/5VNX-BEN_decoy_scores.csv |
5VYU-JB2 | data/5V/5VYU-JB2/5VYU-JB2_ligand.pdbqt | data/5V/5VYU-JB2/5VYU-JB2_target.pdbqt | data/5V/5VYU-JB2/5VYU-JB2_decoys.pdbqt | data/5V/5VYU-JB2/5VYU-JB2_decoy_scores.csv |
5V6V-8YA | data/5V/5V6V-8YA/5V6V-8YA_ligand.pdbqt | data/5V/5V6V-8YA/5V6V-8YA_target.pdbqt | data/5V/5V6V-8YA/5V6V-8YA_decoys.pdbqt | data/5V/5V6V-8YA/5V6V-8YA_decoy_scores.csv |
5VBE-GDP | data/5V/5VBE-GDP/5VBE-GDP_ligand.pdbqt | data/5V/5VBE-GDP/5VBE-GDP_target.pdbqt | data/5V/5VBE-GDP/5VBE-GDP_decoys.pdbqt | data/5V/5VBE-GDP/5VBE-GDP_decoy_scores.csv |
5VYR-B62 | data/5V/5VYR-B62/5VYR-B62_ligand.pdbqt | data/5V/5VYR-B62/5VYR-B62_target.pdbqt | data/5V/5VYR-B62/5VYR-B62_decoys.pdbqt | data/5V/5VYR-B62/5VYR-B62_decoy_scores.csv |
5VAL-92D | data/5V/5VAL-92D/5VAL-92D_ligand.pdbqt | data/5V/5VAL-92D/5VAL-92D_target.pdbqt | data/5V/5VAL-92D/5VAL-92D_decoys.pdbqt | data/5V/5VAL-92D/5VAL-92D_decoy_scores.csv |
5VYQ-0FX | data/5V/5VYQ-0FX/5VYQ-0FX_ligand.pdbqt | data/5V/5VYQ-0FX/5VYQ-0FX_target.pdbqt | null | null |
5VAD-91Y | data/5V/5VAD-91Y/5VAD-91Y_ligand.pdbqt | data/5V/5VAD-91Y/5VAD-91Y_target.pdbqt | data/5V/5VAD-91Y/5VAD-91Y_decoys.pdbqt | data/5V/5VAD-91Y/5VAD-91Y_decoy_scores.csv |
5VUU-9OJ | data/5V/5VUU-9OJ/5VUU-9OJ_ligand.pdbqt | data/5V/5VUU-9OJ/5VUU-9OJ_target.pdbqt | data/5V/5VUU-9OJ/5VUU-9OJ_decoys.pdbqt | data/5V/5VUU-9OJ/5VUU-9OJ_decoy_scores.csv |
5V8Q-97A | data/5V/5V8Q-97A/5V8Q-97A_ligand.pdbqt | data/5V/5V8Q-97A/5V8Q-97A_target.pdbqt | data/5V/5V8Q-97A/5V8Q-97A_decoys.pdbqt | data/5V/5V8Q-97A/5V8Q-97A_decoy_scores.csv |
5VYR-GMP | data/5V/5VYR-GMP/5VYR-GMP_ligand.pdbqt | data/5V/5VYR-GMP/5VYR-GMP_target.pdbqt | data/5V/5VYR-GMP/5VYR-GMP_decoys.pdbqt | data/5V/5VYR-GMP/5VYR-GMP_decoy_scores.csv |
5VYT-GDP | data/5V/5VYT-GDP/5VYT-GDP_ligand.pdbqt | data/5V/5VYT-GDP/5VYT-GDP_target.pdbqt | data/5V/5VYT-GDP/5VYT-GDP_decoys.pdbqt | data/5V/5VYT-GDP/5VYT-GDP_decoy_scores.csv |
5VV1-9OS | data/5V/5VV1-9OS/5VV1-9OS_ligand.pdbqt | data/5V/5VV1-9OS/5VV1-9OS_target.pdbqt | data/5V/5VV1-9OS/5VV1-9OS_decoys.pdbqt | data/5V/5VV1-9OS/5VV1-9OS_decoy_scores.csv |
5V1B-8UY | data/5V/5V1B-8UY/5V1B-8UY_ligand.pdbqt | data/5V/5V1B-8UY/5V1B-8UY_target.pdbqt | data/5V/5V1B-8UY/5V1B-8UY_decoys.pdbqt | data/5V/5V1B-8UY/5V1B-8UY_decoy_scores.csv |
5VUI-H4B | data/5V/5VUI-H4B/5VUI-H4B_ligand.pdbqt | data/5V/5VUI-H4B/5VUI-H4B_target.pdbqt | data/5V/5VUI-H4B/5VUI-H4B_decoys.pdbqt | data/5V/5VUI-H4B/5VUI-H4B_decoy_scores.csv |
5VUV-M62 | data/5V/5VUV-M62/5VUV-M62_ligand.pdbqt | data/5V/5VUV-M62/5VUV-M62_target.pdbqt | data/5V/5VUV-M62/5VUV-M62_decoys.pdbqt | data/5V/5VUV-M62/5VUV-M62_decoy_scores.csv |
5V3W-2Q5 | data/5V/5V3W-2Q5/5V3W-2Q5_ligand.pdbqt | data/5V/5V3W-2Q5/5V3W-2Q5_target.pdbqt | data/5V/5V3W-2Q5/5V3W-2Q5_decoys.pdbqt | data/5V/5V3W-2Q5/5V3W-2Q5_decoy_scores.csv |
5V6S-8YD | data/5V/5V6S-8YD/5V6S-8YD_ligand.pdbqt | data/5V/5V6S-8YD/5V6S-8YD_target.pdbqt | data/5V/5V6S-8YD/5V6S-8YD_decoys.pdbqt | data/5V/5V6S-8YD/5V6S-8YD_decoy_scores.csv |
5VWQ-PMP | data/5V/5VWQ-PMP/5VWQ-PMP_ligand.pdbqt | data/5V/5VWQ-PMP/5VWQ-PMP_target.pdbqt | data/5V/5VWQ-PMP/5VWQ-PMP_decoys.pdbqt | data/5V/5VWQ-PMP/5VWQ-PMP_decoy_scores.csv |
5V4X-GLC | data/5V/5V4X-GLC/5V4X-GLC_ligand.pdbqt | data/5V/5V4X-GLC/5V4X-GLC_target.pdbqt | data/5V/5V4X-GLC/5V4X-GLC_decoys.pdbqt | data/5V/5V4X-GLC/5V4X-GLC_decoy_scores.csv |
5VA8-TCE | data/5V/5VA8-TCE/5VA8-TCE_ligand.pdbqt | data/5V/5VA8-TCE/5VA8-TCE_target.pdbqt | data/5V/5VA8-TCE/5VA8-TCE_decoys.pdbqt | data/5V/5VA8-TCE/5VA8-TCE_decoy_scores.csv |
5VUO-MTL | data/5V/5VUO-MTL/5VUO-MTL_ligand.pdbqt | data/5V/5VUO-MTL/5VUO-MTL_target.pdbqt | data/5V/5VUO-MTL/5VUO-MTL_decoys.pdbqt | data/5V/5VUO-MTL/5VUO-MTL_decoy_scores.csv |
5VOM-9GY | data/5V/5VOM-9GY/5VOM-9GY_ligand.pdbqt | data/5V/5VOM-9GY/5VOM-9GY_target.pdbqt | data/5V/5VOM-9GY/5VOM-9GY_decoys.pdbqt | data/5V/5VOM-9GY/5VOM-9GY_decoy_scores.csv |
5V7P-MPG | data/5V/5V7P-MPG/5V7P-MPG_ligand.pdbqt | data/5V/5V7P-MPG/5V7P-MPG_target.pdbqt | data/5V/5V7P-MPG/5V7P-MPG_decoys.pdbqt | data/5V/5V7P-MPG/5V7P-MPG_decoy_scores.csv |
5VEQ-PMP | data/5V/5VEQ-PMP/5VEQ-PMP_ligand.pdbqt | data/5V/5VEQ-PMP/5VEQ-PMP_target.pdbqt | data/5V/5VEQ-PMP/5VEQ-PMP_decoys.pdbqt | data/5V/5VEQ-PMP/5VEQ-PMP_decoy_scores.csv |
5VI9-9D4 | data/5V/5VI9-9D4/5VI9-9D4_ligand.pdbqt | data/5V/5VI9-9D4/5VI9-9D4_target.pdbqt | data/5V/5VI9-9D4/5VI9-9D4_decoys.pdbqt | data/5V/5VI9-9D4/5VI9-9D4_decoy_scores.csv |
5VRA-ZMA | data/5V/5VRA-ZMA/5VRA-ZMA_ligand.pdbqt | data/5V/5VRA-ZMA/5VRA-ZMA_target.pdbqt | data/5V/5VRA-ZMA/5VRA-ZMA_decoys.pdbqt | data/5V/5VRA-ZMA/5VRA-ZMA_decoy_scores.csv |
5VUO-9OS | data/5V/5VUO-9OS/5VUO-9OS_ligand.pdbqt | data/5V/5VUO-9OS/5VUO-9OS_target.pdbqt | data/5V/5VUO-9OS/5VUO-9OS_decoys.pdbqt | data/5V/5VUO-9OS/5VUO-9OS_decoy_scores.csv |
5VV4-9P7 | data/5V/5VV4-9P7/5VV4-9P7_ligand.pdbqt | data/5V/5VV4-9P7/5VV4-9P7_target.pdbqt | data/5V/5VV4-9P7/5VV4-9P7_decoys.pdbqt | data/5V/5VV4-9P7/5VV4-9P7_decoy_scores.csv |
5VLC-HSO | data/5V/5VLC-HSO/5VLC-HSO_ligand.pdbqt | data/5V/5VLC-HSO/5VLC-HSO_target.pdbqt | data/5V/5VLC-HSO/5VLC-HSO_decoys.pdbqt | data/5V/5VLC-HSO/5VLC-HSO_decoy_scores.csv |
5VFD-9CP | data/5V/5VFD-9CP/5VFD-9CP_ligand.pdbqt | data/5V/5VFD-9CP/5VFD-9CP_target.pdbqt | data/5V/5VFD-9CP/5VFD-9CP_decoys.pdbqt | data/5V/5VFD-9CP/5VFD-9CP_decoy_scores.csv |
5VD3-H8H | data/5V/5VD3-H8H/5VD3-H8H_ligand.pdbqt | data/5V/5VD3-H8H/5VD3-H8H_target.pdbqt | data/5V/5VD3-H8H/5VD3-H8H_decoys.pdbqt | data/5V/5VD3-H8H/5VD3-H8H_decoy_scores.csv |
5V3Y-5V8 | data/5V/5V3Y-5V8/5V3Y-5V8_ligand.pdbqt | data/5V/5V3Y-5V8/5V3Y-5V8_target.pdbqt | data/5V/5V3Y-5V8/5V3Y-5V8_decoys.pdbqt | data/5V/5V3Y-5V8/5V3Y-5V8_decoy_scores.csv |
5V3C-AMH | data/5V/5V3C-AMH/5V3C-AMH_ligand.pdbqt | data/5V/5V3C-AMH/5V3C-AMH_target.pdbqt | data/5V/5V3C-AMH/5V3C-AMH_decoys.pdbqt | data/5V/5V3C-AMH/5V3C-AMH_decoy_scores.csv |
5VFC-9BA | data/5V/5VFC-9BA/5VFC-9BA_ligand.pdbqt | data/5V/5VFC-9BA/5VFC-9BA_target.pdbqt | data/5V/5VFC-9BA/5VFC-9BA_decoys.pdbqt | data/5V/5VFC-9BA/5VFC-9BA_decoy_scores.csv |
5VIV-9UY | data/5V/5VIV-9UY/5VIV-9UY_ligand.pdbqt | data/5V/5VIV-9UY/5VIV-9UY_target.pdbqt | data/5V/5VIV-9UY/5VIV-9UY_decoys.pdbqt | data/5V/5VIV-9UY/5VIV-9UY_decoy_scores.csv |
5V9F-SPV | data/5V/5V9F-SPV/5V9F-SPV_ligand.pdbqt | data/5V/5V9F-SPV/5V9F-SPV_target.pdbqt | data/5V/5V9F-SPV/5V9F-SPV_decoys.pdbqt | data/5V/5V9F-SPV/5V9F-SPV_decoy_scores.csv |
5VL2-9EG | data/5V/5VL2-9EG/5VL2-9EG_ligand.pdbqt | data/5V/5VL2-9EG/5VL2-9EG_target.pdbqt | data/5V/5VL2-9EG/5VL2-9EG_decoys.pdbqt | data/5V/5VL2-9EG/5VL2-9EG_decoy_scores.csv |
5VJG-0BP | data/5V/5VJG-0BP/5VJG-0BP_ligand.pdbqt | data/5V/5VJG-0BP/5VJG-0BP_target.pdbqt | data/5V/5VJG-0BP/5VJG-0BP_decoys.pdbqt | data/5V/5VJG-0BP/5VJG-0BP_decoy_scores.csv |
5VQ2-GTP | data/5V/5VQ2-GTP/5VQ2-GTP_ligand.pdbqt | data/5V/5VQ2-GTP/5VQ2-GTP_target.pdbqt | data/5V/5VQ2-GTP/5VQ2-GTP_decoys.pdbqt | data/5V/5VQ2-GTP/5VQ2-GTP_decoy_scores.csv |
5V21-SAM | data/5V/5V21-SAM/5V21-SAM_ligand.pdbqt | data/5V/5V21-SAM/5V21-SAM_target.pdbqt | data/5V/5V21-SAM/5V21-SAM_decoys.pdbqt | data/5V/5V21-SAM/5V21-SAM_decoy_scores.csv |
5VUL-H4B | data/5V/5VUL-H4B/5VUL-H4B_ligand.pdbqt | data/5V/5VUL-H4B/5VUL-H4B_target.pdbqt | data/5V/5VUL-H4B/5VUL-H4B_decoys.pdbqt | data/5V/5VUL-H4B/5VUL-H4B_decoy_scores.csv |
5VZS-9U4 | data/5V/5VZS-9U4/5VZS-9U4_ligand.pdbqt | data/5V/5VZS-9U4/5VZS-9U4_target.pdbqt | data/5V/5VZS-9U4/5VZS-9U4_decoys.pdbqt | data/5V/5VZS-9U4/5VZS-9U4_decoy_scores.csv |
5VA8-MPO | data/5V/5VA8-MPO/5VA8-MPO_ligand.pdbqt | data/5V/5VA8-MPO/5VA8-MPO_target.pdbqt | data/5V/5VA8-MPO/5VA8-MPO_decoys.pdbqt | data/5V/5VA8-MPO/5VA8-MPO_decoy_scores.csv |
5V88-8ZD | data/5V/5V88-8ZD/5V88-8ZD_ligand.pdbqt | data/5V/5V88-8ZD/5V88-8ZD_target.pdbqt | data/5V/5V88-8ZD/5V88-8ZD_decoys.pdbqt | data/5V/5V88-8ZD/5V88-8ZD_decoy_scores.csv |
5VA6-SAH | data/5V/5VA6-SAH/5VA6-SAH_ligand.pdbqt | data/5V/5VA6-SAH/5VA6-SAH_target.pdbqt | data/5V/5VA6-SAH/5VA6-SAH_decoys.pdbqt | data/5V/5VA6-SAH/5VA6-SAH_decoy_scores.csv |
5VUL-P64 | data/5V/5VUL-P64/5VUL-P64_ligand.pdbqt | data/5V/5VUL-P64/5VUL-P64_target.pdbqt | data/5V/5VUL-P64/5VUL-P64_decoys.pdbqt | data/5V/5VUL-P64/5VUL-P64_decoy_scores.csv |
5VJY-BTB | data/5V/5VJY-BTB/5VJY-BTB_ligand.pdbqt | data/5V/5VJY-BTB/5VJY-BTB_target.pdbqt | data/5V/5VJY-BTB/5VJY-BTB_decoys.pdbqt | data/5V/5VJY-BTB/5VJY-BTB_decoy_scores.csv |
5VVD-BTB | data/5V/5VVD-BTB/5VVD-BTB_ligand.pdbqt | data/5V/5VVD-BTB/5VVD-BTB_target.pdbqt | null | null |
5VYU-1YA | data/5V/5VYU-1YA/5VYU-1YA_ligand.pdbqt | data/5V/5VYU-1YA/5VYU-1YA_target.pdbqt | data/5V/5VYU-1YA/5VYU-1YA_decoys.pdbqt | data/5V/5VYU-1YA/5VYU-1YA_decoy_scores.csv |
5VCY-DB8 | data/5V/5VCY-DB8/5VCY-DB8_ligand.pdbqt | data/5V/5VCY-DB8/5VCY-DB8_target.pdbqt | data/5V/5VCY-DB8/5VCY-DB8_decoys.pdbqt | data/5V/5VCY-DB8/5VCY-DB8_decoy_scores.csv |
5VBZ-92V | data/5V/5VBZ-92V/5VBZ-92V_ligand.pdbqt | data/5V/5VBZ-92V/5VBZ-92V_target.pdbqt | data/5V/5VBZ-92V/5VBZ-92V_decoys.pdbqt | data/5V/5VBZ-92V/5VBZ-92V_decoy_scores.csv |
5V2Y-ARG | data/5V/5V2Y-ARG/5V2Y-ARG_ligand.pdbqt | data/5V/5V2Y-ARG/5V2Y-ARG_target.pdbqt | data/5V/5V2Y-ARG/5V2Y-ARG_decoys.pdbqt | data/5V/5V2Y-ARG/5V2Y-ARG_decoy_scores.csv |
5V39-8VM | data/5V/5V39-8VM/5V39-8VM_ligand.pdbqt | data/5V/5V39-8VM/5V39-8VM_target.pdbqt | data/5V/5V39-8VM/5V39-8VM_decoys.pdbqt | data/5V/5V39-8VM/5V39-8VM_decoy_scores.csv |
5VM8-SAM | data/5V/5VM8-SAM/5VM8-SAM_ligand.pdbqt | data/5V/5VM8-SAM/5VM8-SAM_target.pdbqt | data/5V/5VM8-SAM/5VM8-SAM_decoys.pdbqt | data/5V/5VM8-SAM/5VM8-SAM_decoy_scores.csv |
5V36-BDF | data/5V/5V36-BDF/5V36-BDF_ligand.pdbqt | data/5V/5V36-BDF/5V36-BDF_target.pdbqt | data/5V/5V36-BDF/5V36-BDF_decoys.pdbqt | data/5V/5V36-BDF/5V36-BDF_decoy_scores.csv |
5V18-8UY | data/5V/5V18-8UY/5V18-8UY_ligand.pdbqt | data/5V/5V18-8UY/5V18-8UY_target.pdbqt | data/5V/5V18-8UY/5V18-8UY_decoys.pdbqt | data/5V/5V18-8UY/5V18-8UY_decoy_scores.csv |
5VYS-GMP | data/5V/5VYS-GMP/5VYS-GMP_ligand.pdbqt | data/5V/5VYS-GMP/5VYS-GMP_target.pdbqt | data/5V/5VYS-GMP/5VYS-GMP_decoys.pdbqt | data/5V/5VYS-GMP/5VYS-GMP_decoy_scores.csv |
5V37-SAM | data/5V/5V37-SAM/5V37-SAM_ligand.pdbqt | data/5V/5V37-SAM/5V37-SAM_target.pdbqt | data/5V/5V37-SAM/5V37-SAM_decoys.pdbqt | data/5V/5V37-SAM/5V37-SAM_decoy_scores.csv |
5VYQ-EP1 | data/5V/5VYQ-EP1/5VYQ-EP1_ligand.pdbqt | data/5V/5VYQ-EP1/5VYQ-EP1_target.pdbqt | null | null |
5VQ1-GDP | data/5V/5VQ1-GDP/5VQ1-GDP_ligand.pdbqt | data/5V/5VQ1-GDP/5VQ1-GDP_target.pdbqt | data/5V/5VQ1-GDP/5VQ1-GDP_decoys.pdbqt | data/5V/5VQ1-GDP/5VQ1-GDP_decoy_scores.csv |
5VFI-9AJ | data/5V/5VFI-9AJ/5VFI-9AJ_ligand.pdbqt | data/5V/5VFI-9AJ/5VFI-9AJ_target.pdbqt | data/5V/5VFI-9AJ/5VFI-9AJ_decoys.pdbqt | data/5V/5VFI-9AJ/5VFI-9AJ_decoy_scores.csv |
5VT1-9JS | data/5V/5VT1-9JS/5VT1-9JS_ligand.pdbqt | data/5V/5VT1-9JS/5VT1-9JS_target.pdbqt | data/5V/5VT1-9JS/5VT1-9JS_decoys.pdbqt | data/5V/5VT1-9JS/5VT1-9JS_decoy_scores.csv |
5V87-MGT | data/5V/5V87-MGT/5V87-MGT_ligand.pdbqt | data/5V/5V87-MGT/5V87-MGT_target.pdbqt | data/5V/5V87-MGT/5V87-MGT_decoys.pdbqt | data/5V/5V87-MGT/5V87-MGT_decoy_scores.csv |
5VD9-98G | data/5V/5VD9-98G/5VD9-98G_ligand.pdbqt | data/5V/5VD9-98G/5VD9-98G_target.pdbqt | data/5V/5VD9-98G/5VD9-98G_decoys.pdbqt | data/5V/5VD9-98G/5VD9-98G_decoy_scores.csv |
5VRA-CLR | data/5V/5VRA-CLR/5VRA-CLR_ligand.pdbqt | data/5V/5VRA-CLR/5VRA-CLR_target.pdbqt | data/5V/5VRA-CLR/5VRA-CLR_decoys.pdbqt | data/5V/5VRA-CLR/5VRA-CLR_decoy_scores.csv |
5V8T-8ZV | data/5V/5V8T-8ZV/5V8T-8ZV_ligand.pdbqt | data/5V/5V8T-8ZV/5V8T-8ZV_target.pdbqt | data/5V/5V8T-8ZV/5V8T-8ZV_decoys.pdbqt | data/5V/5V8T-8ZV/5V8T-8ZV_decoy_scores.csv |
5VJP-IR9 | data/5V/5VJP-IR9/5VJP-IR9_ligand.pdbqt | data/5V/5VJP-IR9/5VJP-IR9_target.pdbqt | data/5V/5VJP-IR9/5VJP-IR9_decoys.pdbqt | data/5V/5VJP-IR9/5VJP-IR9_decoy_scores.csv |
5VAW-GLU | data/5V/5VAW-GLU/5VAW-GLU_ligand.pdbqt | data/5V/5VAW-GLU/5VAW-GLU_target.pdbqt | data/5V/5VAW-GLU/5VAW-GLU_decoys.pdbqt | data/5V/5VAW-GLU/5VAW-GLU_decoy_scores.csv |
5VSE-SAM | data/5V/5VSE-SAM/5VSE-SAM_ligand.pdbqt | data/5V/5VSE-SAM/5VSE-SAM_target.pdbqt | data/5V/5VSE-SAM/5VSE-SAM_decoys.pdbqt | data/5V/5VSE-SAM/5VSE-SAM_decoy_scores.csv |
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