152 related articles for article (PubMed ID: 36573474)
1. HCovDock: an efficient docking method for modeling covalent protein-ligand interactions.
Wu Q; Huang SY
Brief Bioinform; 2023 Jan; 24(1):. PubMed ID: 36573474
[TBL] [Abstract][Full Text] [Related]
2. Comparative Evaluation of Covalent Docking Tools.
Scarpino A; Ferenczy GG; Keserű GM
J Chem Inf Model; 2018 Jul; 58(7):1441-1458. PubMed ID: 29890081
[TBL] [Abstract][Full Text] [Related]
3. Two-Step Covalent Docking with Attracting Cavities.
Goullieux M; Zoete V; Röhrig UF
J Chem Inf Model; 2023 Dec; 63(24):7847-7859. PubMed ID: 38049143
[TBL] [Abstract][Full Text] [Related]
4. Docking cyclic peptides formed by a disulfide bond through a hierarchical strategy.
Tao H; Zhao X; Zhang K; Lin P; Huang SY
Bioinformatics; 2022 Sep; 38(17):4109-4116. PubMed ID: 35801933
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. NLDock: a Fast Nucleic Acid-Ligand Docking Algorithm for Modeling RNA/DNA-Ligand Complexes.
Feng Y; Zhang K; Wu Q; Huang SY
J Chem Inf Model; 2021 Sep; 61(9):4771-4782. PubMed ID: 34468128
[TBL] [Abstract][Full Text] [Related]
7. HPEPDOCK: a web server for blind peptide-protein docking based on a hierarchical algorithm.
Zhou P; Jin B; Li H; Huang SY
Nucleic Acids Res; 2018 Jul; 46(W1):W443-W450. PubMed ID: 29746661
[TBL] [Abstract][Full Text] [Related]
8. Systematic Studies on the Protocol and Criteria for Selecting a Covalent Docking Tool.
Wen C; Yan X; Gu Q; Du J; Wu D; Lu Y; Zhou H; Xu J
Molecules; 2019 Jun; 24(11):. PubMed ID: 31185706
[TBL] [Abstract][Full Text] [Related]
9. pso@autodock: a fast flexible molecular docking program based on Swarm intelligence.
Namasivayam V; Günther R
Chem Biol Drug Des; 2007 Dec; 70(6):475-84. PubMed ID: 17986206
[TBL] [Abstract][Full Text] [Related]
10. Cov_DOX: A Method for Structure Prediction of Covalent Protein-Ligand Bindings.
Wei L; Chen Y; Liu J; Rao L; Ren Y; Xu X; Wan J
J Med Chem; 2022 Apr; 65(7):5528-5538. PubMed ID: 35353519
[TBL] [Abstract][Full Text] [Related]
11. Structure-based virtual screening approach for discovery of covalently bound ligands.
Toledo Warshaviak D; Golan G; Borrelli KW; Zhu K; Kalid O
J Chem Inf Model; 2014 Jul; 54(7):1941-50. PubMed ID: 24932913
[TBL] [Abstract][Full Text] [Related]
12. Binding Mode Prediction and Virtual Screening Applications by Covalent Docking.
Scarpino A; Ferenczy GG; Keserű GM
Methods Mol Biol; 2021; 2266():73-88. PubMed ID: 33759121
[TBL] [Abstract][Full Text] [Related]
13. HSYMDOCK: a docking web server for predicting the structure of protein homo-oligomers with Cn or Dn symmetry.
Yan Y; Tao H; Huang SY
Nucleic Acids Res; 2018 Jul; 46(W1):W423-W431. PubMed ID: 29846641
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. 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]
16. AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility.
Ravindranath PA; Forli S; Goodsell DS; Olson AJ; Sanner MF
PLoS Comput Biol; 2015 Dec; 11(12):e1004586. PubMed ID: 26629955
[TBL] [Abstract][Full Text] [Related]
17. Boosted neural networks scoring functions for accurate ligand docking and ranking.
Ashtawy HM; Mahapatra NR
J Bioinform Comput Biol; 2018 Apr; 16(2):1850004. PubMed ID: 29495922
[TBL] [Abstract][Full Text] [Related]
18. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
Huang SY; Zou X
Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
[TBL] [Abstract][Full Text] [Related]
19. Covalent docking using autodock: Two-point attractor and flexible side chain methods.
Bianco G; Forli S; Goodsell DS; Olson AJ
Protein Sci; 2016 Jan; 25(1):295-301. PubMed ID: 26103917
[TBL] [Abstract][Full Text] [Related]
20. A comparison of various optimization algorithms of protein-ligand docking programs by fitness accuracy.
Guo L; Yan Z; Zheng X; Hu L; Yang Y; Wang J
J Mol Model; 2014 Jul; 20(7):2251. PubMed ID: 24935106
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
