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.
169 related articles for article (PubMed ID: 24991975)
21. SuperStar: comparison of CSD and PDB-based interaction fields as a basis for the prediction of protein-ligand interactions. Boer DR; Kroon J; Cole JC; Smith B; Verdonk ML J Mol Biol; 2001 Sep; 312(1):275-87. PubMed ID: 11545602 [TBL] [Abstract][Full Text] [Related]
22. 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]
23. Classification of ligand molecules in PDB with fast heuristic graph match algorithm COMPLIG. Saito M; Takemura N; Shirai T J Mol Biol; 2012 Dec; 424(5):379-90. PubMed ID: 23041414 [TBL] [Abstract][Full Text] [Related]
24. PLI: a web-based tool for the comparison of protein-ligand interactions observed on PDB structures. Gallina AM; Bisignano P; Bergamino M; Bordo D Bioinformatics; 2013 Feb; 29(3):395-7. PubMed ID: 23196990 [TBL] [Abstract][Full Text] [Related]
25. Structure-based computational analysis of protein binding sites for function and druggability prediction. Nisius B; Sha F; Gohlke H J Biotechnol; 2012 Jun; 159(3):123-34. PubMed ID: 22197384 [TBL] [Abstract][Full Text] [Related]
26. Comparison and druggability prediction of protein-ligand binding sites from pharmacophore-annotated cavity shapes. Desaphy J; Azdimousa K; Kellenberger E; Rognan D J Chem Inf Model; 2012 Aug; 52(8):2287-99. PubMed ID: 22834646 [TBL] [Abstract][Full Text] [Related]
27. Novel Scaffold FingerPrint (SFP): applications in scaffold hopping and scaffold-based selection of diverse compounds. Rabal O; Amr FI; Oyarzabal J J Chem Inf Model; 2015 Jan; 55(1):1-18. PubMed ID: 25558803 [TBL] [Abstract][Full Text] [Related]
28. SuperLigands - a database of ligand structures derived from the Protein Data Bank. Michalsky E; Dunkel M; Goede A; Preissner R BMC Bioinformatics; 2005 May; 6():122. PubMed ID: 15943884 [TBL] [Abstract][Full Text] [Related]
29. Ligand Binding Site Comparison - LiBiSCo - a web-based tool for analyzing interactions between proteins and ligands to explore amino acid specificity within active sites. Hassan S; Töpel M; Aronsson H Proteins; 2021 Nov; 89(11):1530-1540. PubMed ID: 34240464 [TBL] [Abstract][Full Text] [Related]
30. Use of reduced graphs to encode bioisosterism for similarity-based virtual screening. Birchall K; Gillet VJ; Willett P; Ducrot P; Luttmann C J Chem Inf Model; 2009 Jun; 49(6):1330-46. PubMed ID: 19485397 [TBL] [Abstract][Full Text] [Related]
31. Similarity metrics for ligands reflecting the similarity of the target proteins. Schuffenhauer A; Floersheim P; Acklin P; Jacoby E J Chem Inf Comput Sci; 2003; 43(2):391-405. PubMed ID: 12653501 [TBL] [Abstract][Full Text] [Related]
36. Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization. Langdon SR; Ertl P; Brown N Mol Inform; 2010 May; 29(5):366-85. PubMed ID: 27463193 [TBL] [Abstract][Full Text] [Related]
38. Structural analysis of protein-ligand interactions: the binding of endogenous compounds and of synthetic drugs. Gallina AM; Bork P; Bordo D J Mol Recognit; 2014 Feb; 27(2):65-72. PubMed ID: 24436123 [TBL] [Abstract][Full Text] [Related]
39. Protein structure and computational drug discovery. Nero TL; Parker MW; Morton CJ Biochem Soc Trans; 2018 Oct; 46(5):1367-1379. PubMed ID: 30242117 [TBL] [Abstract][Full Text] [Related]
40. BoBER: web interface to the base of bioisosterically exchangeable replacements. Lešnik S; Škrlj B; Eržen N; Bren U; Gobec S; Konc J; Janežič D J Cheminform; 2017 Dec; 9(1):62. PubMed ID: 29234984 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]