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195 related items for PubMed ID: 18442132
1. SFCscore: scoring functions for affinity prediction of protein-ligand complexes. Sotriffer CA, Sanschagrin P, Matter H, Klebe G. Proteins; 2008 Nov 01; 73(2):395-419. PubMed ID: 18442132 [Abstract] [Full Text] [Related]
2. FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data. Pearlman DA, Rao BG, Charifson P. Proteins; 2008 May 15; 71(3):1519-38. PubMed ID: 18300249 [Abstract] [Full Text] [Related]
6. A general and fast scoring function for protein-ligand interactions: a simplified potential approach. Muegge I, Martin YC. J Med Chem; 1999 Mar 11; 42(5):791-804. PubMed ID: 10072678 [Abstract] [Full Text] [Related]
10. PMF scoring revisited. Muegge I. J Med Chem; 2006 Oct 05; 49(20):5895-902. PubMed ID: 17004705 [Abstract] [Full Text] [Related]
11. Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures. Strömbergsson H, Kryshtafovych A, Prusis P, Fidelis K, Wikberg JE, Komorowski J, Hvidsten TR. Proteins; 2006 Nov 15; 65(3):568-79. PubMed ID: 16948162 [Abstract] [Full Text] [Related]
18. Information theory-based scoring function for the structure-based prediction of protein-ligand binding affinity. Kulharia M, Goody RS, Jackson RM. J Chem Inf Model; 2008 Oct 15; 48(10):1990-8. PubMed ID: 18767831 [Abstract] [Full Text] [Related]
19. gCOMBINE: A graphical user interface to perform structure-based comparative binding energy (COMBINE) analysis on a set of ligand-receptor complexes. Gil-Redondo R, Klett J, Gago F, Morreale A. Proteins; 2010 Jan 15; 78(1):162-72. PubMed ID: 19705486 [Abstract] [Full Text] [Related]