These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
25. Comprehensive assessment of flexible-ligand docking algorithms: current effectiveness and challenges. Huang SY Brief Bioinform; 2018 Sep; 19(5):982-994. PubMed ID: 28334282 [TBL] [Abstract][Full Text] [Related]
26. Supervised scoring models with docked ligand conformations for structure-based virtual screening. Teramoto R; Fukunishi H J Chem Inf Model; 2007; 47(5):1858-67. PubMed ID: 17685604 [TBL] [Abstract][Full Text] [Related]
27. Suitability of MMGBSA for the selection of correct ligand binding modes from docking results. Ahinko M; Niinivehmas S; Jokinen E; Pentikäinen OT Chem Biol Drug Des; 2019 Apr; 93(4):522-538. PubMed ID: 30468569 [TBL] [Abstract][Full Text] [Related]
28. Docking of aminoglycosides to hydrated and flexible RNA. Moitessier N; Westhof E; Hanessian S J Med Chem; 2006 Feb; 49(3):1023-33. PubMed ID: 16451068 [TBL] [Abstract][Full Text] [Related]
29. Preference of small molecules for local minimum conformations when binding to proteins. Wang Q; Pang YP PLoS One; 2007 Sep; 2(9):e820. PubMed ID: 17786192 [TBL] [Abstract][Full Text] [Related]
30. Rapid protein-ligand docking using soft modes from molecular dynamics simulations to account for protein deformability: binding of FK506 to FKBP. Zacharias M Proteins; 2004 Mar; 54(4):759-67. PubMed ID: 14997571 [TBL] [Abstract][Full Text] [Related]
31. Molecular recognition of RNA: challenges for modelling interactions and plasticity. Fulle S; Gohlke H J Mol Recognit; 2010; 23(2):220-31. PubMed ID: 19941322 [TBL] [Abstract][Full Text] [Related]
33. Binding-interaction prediction of RNA-binding ligands. Tuccinardi T Future Med Chem; 2011 Apr; 3(6):723-33. PubMed ID: 21554078 [TBL] [Abstract][Full Text] [Related]
34. 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]
35. Flexible ligand docking using conformational ensembles. Lorber DM; Shoichet BK Protein Sci; 1998 Apr; 7(4):938-50. PubMed ID: 9568900 [TBL] [Abstract][Full Text] [Related]
36. Progress in protein-protein docking: atomic resolution predictions in the CAPRI experiment using RosettaDock with an improved treatment of side-chain flexibility. Schueler-Furman O; Wang C; Baker D Proteins; 2005 Aug; 60(2):187-94. PubMed ID: 15981249 [TBL] [Abstract][Full Text] [Related]
37. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm. Li H; Li C; Gui C; Luo X; Chen K; Shen J; Wang X; Jiang H Bioorg Med Chem Lett; 2004 Sep; 14(18):4671-6. PubMed ID: 15324886 [TBL] [Abstract][Full Text] [Related]
38. Structure-based ligand design for flexible proteins: application of new F-DycoBlock. Zhu J; Fan H; Liu H; Shi Y J Comput Aided Mol Des; 2001 Nov; 15(11):979-96. PubMed ID: 11989626 [TBL] [Abstract][Full Text] [Related]
39. Investigation of MM-PBSA rescoring of docking poses. Thompson DC; Humblet C; Joseph-McCarthy D J Chem Inf Model; 2008 May; 48(5):1081-91. PubMed ID: 18465849 [TBL] [Abstract][Full Text] [Related]
40. 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] [Previous] [Next] [New Search]