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. ProMate: a structure based prediction program to identify the location of protein-protein binding sites. Neuvirth H; Raz R; Schreiber G J Mol Biol; 2004 Apr; 338(1):181-99. PubMed ID: 15050833 [TBL] [Abstract][Full Text] [Related]
26. Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex. Cui Q; Sulea T; Schrag JD; Munger C; Hung MN; Naïm M; Cygler M; Purisima EO J Mol Biol; 2008 Jun; 379(4):787-802. PubMed ID: 18479705 [TBL] [Abstract][Full Text] [Related]
27. Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape. Zoete V; Schuepbach T; Bovigny C; Chaskar P; Daina A; Röhrig UF; Michielin O J Comput Chem; 2016 Feb; 37(4):437-47. PubMed ID: 26558715 [TBL] [Abstract][Full Text] [Related]
28. Accurate detection of protein:ligand binding sites using molecular dynamics simulations. Bhinge A; Chakrabarti P; Uthanumallian K; Bajaj K; Chakraborty K; Varadarajan R Structure; 2004 Nov; 12(11):1989-99. PubMed ID: 15530363 [TBL] [Abstract][Full Text] [Related]
29. Small Molecules Engage Hot Spots through Cooperative Binding To Inhibit a Tight Protein-Protein Interaction. Liu D; Xu D; Liu M; Knabe WE; Yuan C; Zhou D; Huang M; Meroueh SO Biochemistry; 2017 Mar; 56(12):1768-1784. PubMed ID: 28186725 [TBL] [Abstract][Full Text] [Related]
30. Computational method to identify druggable binding sites that target protein-protein interactions. Li H; Kasam V; Tautermann CS; Seeliger D; Vaidehi N J Chem Inf Model; 2014 May; 54(5):1391-400. PubMed ID: 24762202 [TBL] [Abstract][Full Text] [Related]
31. Prediction of Hot Spots at Myeloid Cell Leukemia-1-Inhibitor Interface Using Energy Estimation and Alanine Scanning Mutagenesis. Marimuthu P; Singaravelu K Biochemistry; 2018 Feb; 57(7):1249-1261. PubMed ID: 29345906 [TBL] [Abstract][Full Text] [Related]
32. Protein-protein interface analysis and hot spots identification for chemical ligand design. Chen J; Ma X; Yuan Y; Pei J; Lai L Curr Pharm Des; 2014; 20(8):1192-200. PubMed ID: 23713772 [TBL] [Abstract][Full Text] [Related]
33. Conformational Heterogeneity of Unbound Proteins Enhances Recognition in Protein-Protein Encounters. Pallara C; Rueda M; Abagyan R; Fernández-Recio J J Chem Theory Comput; 2016 Jul; 12(7):3236-49. PubMed ID: 27294484 [TBL] [Abstract][Full Text] [Related]
34. Virtual Screening of Novel Glucosamine-6-Phosphate Synthase Inhibitors. Lather A; Sharma S; Khatkar A Comb Chem High Throughput Screen; 2018; 21(3):182-193. PubMed ID: 29600755 [TBL] [Abstract][Full Text] [Related]
35. Computationally identifying hot spots in protein-DNA binding interfaces using an ensemble approach. Pan Y; Zhou S; Guan J BMC Bioinformatics; 2020 Sep; 21(Suppl 13):384. PubMed ID: 32938375 [TBL] [Abstract][Full Text] [Related]
36. Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design. Liang J; Edelsbrunner H; Woodward C Protein Sci; 1998 Sep; 7(9):1884-97. PubMed ID: 9761470 [TBL] [Abstract][Full Text] [Related]