272 related articles for article (PubMed ID: 30946779)
21. Portals and Web-Based Resources for Virtual Screening.
Krüger J; Thiel P; Merelli I; Grunzke R; Gesing S
Curr Drug Targets; 2016; 17(14):1649-1660. PubMed ID: 26844570
[TBL] [Abstract][Full Text] [Related]
22. BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.
Fu H; Gumbart JC; Chen H; Shao X; Cai W; Chipot C
J Chem Inf Model; 2018 Mar; 58(3):556-560. PubMed ID: 29405709
[TBL] [Abstract][Full Text] [Related]
23. 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]
24. SEABED: Small molEcule activity scanner weB servicE baseD.
Fenollosa C; Otón M; Andrio P; Cortés J; Orozco M; Goñi JR
Bioinformatics; 2015 Mar; 31(5):773-5. PubMed ID: 25348211
[TBL] [Abstract][Full Text] [Related]
25. GPU-Accelerated Flexible Molecular Docking.
Fan M; Wang J; Jiang H; Feng Y; Mahdavi M; Madduri K; Kandemir MT; Dokholyan NV
J Phys Chem B; 2021 Feb; 125(4):1049-1060. PubMed ID: 33497567
[TBL] [Abstract][Full Text] [Related]
26. Detailed comparison of the protein-ligand docking efficiencies of GOLD, a commercial package and ArgusLab, a licensable freeware.
Joy S; Nair PS; Hariharan R; Pillai MR
In Silico Biol; 2006; 6(6):601-5. PubMed ID: 17518767
[TBL] [Abstract][Full Text] [Related]
27. GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.
Ding Y; Fang Y; Feinstein WP; Ramanujam J; Koppelman DM; Moreno J; Brylinski M; Jarrell M
J Comput Chem; 2015 Oct; 36(27):2013-26. PubMed ID: 26250822
[TBL] [Abstract][Full Text] [Related]
28. Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening.
Ebejer JP; Finn PW; Wong WK; Deane CM; Morris GM
J Chem Inf Model; 2019 Jun; 59(6):2600-2616. PubMed ID: 31117509
[TBL] [Abstract][Full Text] [Related]
29. PSOVina: The hybrid particle swarm optimization algorithm for protein-ligand docking.
Ng MC; Fong S; Siu SW
J Bioinform Comput Biol; 2015 Jun; 13(3):1541007. PubMed ID: 25800162
[TBL] [Abstract][Full Text] [Related]
30. Use of experimental design to optimize docking performance: the case of LiGenDock, the docking module of LiGen, a new de novo design program.
Beato C; Beccari AR; Cavazzoni C; Lorenzi S; Costantino G
J Chem Inf Model; 2013 Jun; 53(6):1503-17. PubMed ID: 23590204
[TBL] [Abstract][Full Text] [Related]
31. Protein structure-based drug design: from docking to molecular dynamics.
Śledź P; Caflisch A
Curr Opin Struct Biol; 2018 Feb; 48():93-102. PubMed ID: 29149726
[TBL] [Abstract][Full Text] [Related]
32. CRDOCK: an ultrafast multipurpose protein-ligand docking tool.
Cortés Cabrera Á; Klett J; Dos Santos HG; Perona A; Gil-Redondo R; Francis SM; Priego EM; Gago F; Morreale A
J Chem Inf Model; 2012 Aug; 52(8):2300-9. PubMed ID: 22764680
[TBL] [Abstract][Full Text] [Related]
33. DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina.
Di Muzio E; Toti D; Polticelli F
J Comput Aided Mol Des; 2017 Feb; 31(2):213-218. PubMed ID: 28063067
[TBL] [Abstract][Full Text] [Related]
34. Docking with AutoDock4.
Bitencourt-Ferreira G; Pintro VO; de Azevedo WF
Methods Mol Biol; 2019; 2053():125-148. PubMed ID: 31452103
[TBL] [Abstract][Full Text] [Related]
35. Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure.
Schumann M; Armen RS
J Comput Chem; 2013 May; 34(14):1258-69. PubMed ID: 23420703
[TBL] [Abstract][Full Text] [Related]
36. The use of protein-ligand interaction fingerprints in docking.
Brewerton SC
Curr Opin Drug Discov Devel; 2008 May; 11(3):356-64. PubMed ID: 18428089
[TBL] [Abstract][Full Text] [Related]
37. Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site.
Virtanen SI; Pentikäinen OT
J Chem Inf Model; 2010 Jun; 50(6):1005-11. PubMed ID: 20504004
[TBL] [Abstract][Full Text] [Related]
38. 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]
39. Group Additivity in Ligand Binding Affinity: An Alternative Approach to Ligand Efficiency.
Reynolds CH; Reynolds RC
J Chem Inf Model; 2017 Dec; 57(12):3086-3093. PubMed ID: 29111708
[TBL] [Abstract][Full Text] [Related]
40. DINC 2.0: A New Protein-Peptide Docking Webserver Using an Incremental Approach.
Antunes DA; Moll M; Devaurs D; Jackson KR; Lizée G; Kavraki LE
Cancer Res; 2017 Nov; 77(21):e55-e57. PubMed ID: 29092940
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]