199 related articles for article (PubMed ID: 23962892)
21. Detecting the native ligand orientation by interfacial rigidity: SiteInterlock.
Raschka S; Bemister-Buffington J; Kuhn LA
Proteins; 2016 Dec; 84(12):1888-1901. PubMed ID: 27699847
[TBL] [Abstract][Full Text] [Related]
22. Molecular Docking Simulations with ArgusLab.
Bitencourt-Ferreira G; de Azevedo WF
Methods Mol Biol; 2019; 2053():203-220. PubMed ID: 31452107
[TBL] [Abstract][Full Text] [Related]
23. RosettaLigand docking with full ligand and receptor flexibility.
Davis IW; Baker D
J Mol Biol; 2009 Jan; 385(2):381-92. PubMed ID: 19041878
[TBL] [Abstract][Full Text] [Related]
24. Investigation of atomic level patterns in protein--small ligand interactions.
Chen K; Kurgan L
PLoS One; 2009; 4(2):e4473. PubMed ID: 19221587
[TBL] [Abstract][Full Text] [Related]
25. An electronic environment and contact direction sensitive scoring function for predicting affinities of protein-ligand complexes in Contour(®).
Lindblom PR; Wu G; Liu Z; Jim KC; Baldwin JJ; Gregg RE; Claremon DA; Singh SB
J Mol Graph Model; 2014 Sep; 53():118-127. PubMed ID: 25123650
[TBL] [Abstract][Full Text] [Related]
26. Van der Waals Potential in Protein Complexes.
Bitencourt-Ferreira G; Veit-Acosta M; de Azevedo WF
Methods Mol Biol; 2019; 2053():79-91. PubMed ID: 31452100
[TBL] [Abstract][Full Text] [Related]
27. Electrostatic Energy in Protein-Ligand Complexes.
Bitencourt-Ferreira G; Veit-Acosta M; de Azevedo WF
Methods Mol Biol; 2019; 2053():67-77. PubMed ID: 31452099
[TBL] [Abstract][Full Text] [Related]
28. PRL-Dock: protein-ligand docking based on hydrogen bond matching and probabilistic relaxation labeling.
Wu MY; Dai DQ; Yan H
Proteins; 2012 Aug; 80(9):2137-53. PubMed ID: 22544808
[TBL] [Abstract][Full Text] [Related]
29. 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]
30. Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein.
Fu Y; Zhao J; Chen Z
Comput Math Methods Med; 2018; 2018():3502514. PubMed ID: 30627209
[TBL] [Abstract][Full Text] [Related]
31. New computational protein design methods for de novo small molecule binding sites.
Lucas JE; Kortemme T
PLoS Comput Biol; 2020 Oct; 16(10):e1008178. PubMed ID: 33017412
[TBL] [Abstract][Full Text] [Related]
32. Docking of hydrophobic ligands with interaction-based matching algorithms.
Rarey M; Kramer B; Lengauer T
Bioinformatics; 1999 Mar; 15(3):243-50. PubMed ID: 10222412
[TBL] [Abstract][Full Text] [Related]
33. Computational design of protein-ligand interfaces: potential in therapeutic development.
Morin A; Meiler J; Mizoue LS
Trends Biotechnol; 2011 Apr; 29(4):159-66. PubMed ID: 21295366
[TBL] [Abstract][Full Text] [Related]
34. Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites.
Laurie AT; Jackson RM
Bioinformatics; 2005 May; 21(9):1908-16. PubMed ID: 15701681
[TBL] [Abstract][Full Text] [Related]
35. Different combinations of atomic interactions predict protein-small molecule and protein-DNA/RNA affinities with similar accuracy.
Dias R; Kolazckowski B
Proteins; 2015 Nov; 83(11):2100-14. PubMed ID: 26370248
[TBL] [Abstract][Full Text] [Related]
36. [Noncovalent cation-π interactions--their role in nature].
Fink K; Boratyński J
Postepy Hig Med Dosw (Online); 2014 Nov; 68():1276-86. PubMed ID: 25380210
[TBL] [Abstract][Full Text] [Related]
37. 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]
38. In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.
Hoffer L; Renaud JP; Horvath D
J Chem Inf Model; 2013 Apr; 53(4):836-51. PubMed ID: 23537132
[TBL] [Abstract][Full Text] [Related]
39. FlexPepDock lessons from CAPRI peptide-protein rounds and suggested new criteria for assessment of model quality and utility.
Marcu O; Dodson EJ; Alam N; Sperber M; Kozakov D; Lensink MF; Schueler-Furman O
Proteins; 2017 Mar; 85(3):445-462. PubMed ID: 28002624
[TBL] [Abstract][Full Text] [Related]
40. Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors.
Nguyen ED; Norn C; Frimurer TM; Meiler J
PLoS One; 2013; 8(7):e67302. PubMed ID: 23844000
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
