159 related articles for article (PubMed ID: 32840574)
1. KORP-PL: a coarse-grained knowledge-based scoring function for protein-ligand interactions.
Kadukova M; Machado KDS; Chacón P; Grudinin S
Bioinformatics; 2021 May; 37(7):943-950. PubMed ID: 32840574
[TBL] [Abstract][Full Text] [Related]
2. KORP: knowledge-based 6D potential for fast protein and loop modeling.
López-Blanco JR; Chacón P
Bioinformatics; 2019 Sep; 35(17):3013-3019. PubMed ID: 30649193
[TBL] [Abstract][Full Text] [Related]
3. Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4.
Kadukova M; Chupin V; Grudinin S
J Comput Aided Mol Des; 2020 Feb; 34(2):191-200. PubMed ID: 31784861
[TBL] [Abstract][Full Text] [Related]
4. iScore: a novel graph kernel-based function for scoring protein-protein docking models.
Geng C; Jung Y; Renaud N; Honavar V; Bonvin AMJJ; Xue LC
Bioinformatics; 2020 Jan; 36(1):112-121. PubMed ID: 31199455
[TBL] [Abstract][Full Text] [Related]
5. METADOCK 2: a high-throughput parallel metaheuristic scheme for molecular docking.
Imbernón B; Serrano A; Bueno-Crespo A; Abellán JL; Pérez-Sánchez H; Cecilia JM
Bioinformatics; 2021 Jul; 37(11):1515-1520. PubMed ID: 31960899
[TBL] [Abstract][Full Text] [Related]
6. Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.
Wang Z; Sun H; Yao X; Li D; Xu L; Li Y; Tian S; Hou T
Phys Chem Chem Phys; 2016 May; 18(18):12964-75. PubMed ID: 27108770
[TBL] [Abstract][Full Text] [Related]
7. Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.
Kadukova M; Grudinin S
J Comput Aided Mol Des; 2017 Oct; 31(10):943-958. PubMed ID: 28921375
[TBL] [Abstract][Full Text] [Related]
8. InterEvScore: a novel coarse-grained interface scoring function using a multi-body statistical potential coupled to evolution.
Andreani J; Faure G; Guerois R
Bioinformatics; 2013 Jul; 29(14):1742-9. PubMed ID: 23652426
[TBL] [Abstract][Full Text] [Related]
9. LightDock: a new multi-scale approach to protein-protein docking.
Jiménez-García B; Roel-Touris J; Romero-Durana M; Vidal M; Jiménez-González D; Fernández-Recio J
Bioinformatics; 2018 Jan; 34(1):49-55. PubMed ID: 28968719
[TBL] [Abstract][Full Text] [Related]
10. PLHINT: A knowledge-driven computational approach based on the intermolecular H bond interactions at the protein-ligand interface from docking solutions.
Kumar SP
J Mol Graph Model; 2018 Jan; 79():194-212. PubMed ID: 29241118
[TBL] [Abstract][Full Text] [Related]
11. istar: a web platform for large-scale protein-ligand docking.
Li H; Leung KS; Ballester PJ; Wong MH
PLoS One; 2014; 9(1):e85678. PubMed ID: 24475049
[TBL] [Abstract][Full Text] [Related]
12. DockingApp RF: A State-of-the-Art Novel Scoring Function for Molecular Docking in a User-Friendly Interface to AutoDock Vina.
Macari G; Toti D; Pasquadibisceglie A; Polticelli F
Int J Mol Sci; 2020 Dec; 21(24):. PubMed ID: 33333976
[TBL] [Abstract][Full Text] [Related]
13. Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark.
Gaillard T
J Chem Inf Model; 2018 Aug; 58(8):1697-1706. PubMed ID: 29989806
[TBL] [Abstract][Full Text] [Related]
14. Improving protein-ligand docking and screening accuracies by incorporating a scoring function correction term.
Zheng L; Meng J; Jiang K; Lan H; Wang Z; Lin M; Li W; Guo H; Wei Y; Mu Y
Brief Bioinform; 2022 May; 23(3):. PubMed ID: 35289359
[TBL] [Abstract][Full Text] [Related]
15. Comparative assessment of scoring functions on an updated benchmark: 2. Evaluation methods and general results.
Li Y; Han L; Liu Z; Wang R
J Chem Inf Model; 2014 Jun; 54(6):1717-36. PubMed ID: 24708446
[TBL] [Abstract][Full Text] [Related]
16. Smooth orientation-dependent scoring function for coarse-grained protein quality assessment.
Karasikov M; Pagès G; Grudinin S
Bioinformatics; 2019 Aug; 35(16):2801-2808. PubMed ID: 30590384
[TBL] [Abstract][Full Text] [Related]
17. An Overview of Scoring Functions Used for Protein-Ligand Interactions in Molecular Docking.
Li J; Fu A; Zhang L
Interdiscip Sci; 2019 Jun; 11(2):320-328. PubMed ID: 30877639
[TBL] [Abstract][Full Text] [Related]
18. Efficient flexible backbone protein-protein docking for challenging targets.
Marze NA; Roy Burman SS; Sheffler W; Gray JJ
Bioinformatics; 2018 Oct; 34(20):3461-3469. PubMed ID: 29718115
[TBL] [Abstract][Full Text] [Related]
19. GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand docking.
Baek M; Shin WH; Chung HW; Seok C
J Comput Aided Mol Des; 2017 Jul; 31(7):653-666. PubMed ID: 28623486
[TBL] [Abstract][Full Text] [Related]
20. DECK: Distance and environment-dependent, coarse-grained, knowledge-based potentials for protein-protein docking.
Liu S; Vakser IA
BMC Bioinformatics; 2011 Jul; 12():280. PubMed ID: 21745398
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
