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210 related items for PubMed ID: 15781182
1. LigScore: a novel scoring function for predicting binding affinities. Krammer A, Kirchhoff PD, Jiang X, Venkatachalam CM, Waldman M. J Mol Graph Model; 2005 Apr; 23(5):395-407. PubMed ID: 15781182 [Abstract] [Full Text] [Related]
3. What determines the van der Waals coefficient beta in the LIE (linear interaction energy) method to estimate binding free energies using molecular dynamics simulations? Wang W, Wang J, Kollman PA. Proteins; 1999 Feb 15; 34(3):395-402. PubMed ID: 10024025 [Abstract] [Full Text] [Related]
5. An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes. Wang R, Lu Y, Fang X, Wang S. J Chem Inf Comput Sci; 2004 Nov 21; 44(6):2114-25. PubMed ID: 15554682 [Abstract] [Full Text] [Related]
6. A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes. Zhang C, Liu S, Zhu Q, Zhou Y. J Med Chem; 2005 Apr 07; 48(7):2325-35. PubMed ID: 15801826 [Abstract] [Full Text] [Related]
7. An all atom energy based computational protocol for predicting binding affinities of protein-ligand complexes. Jain T, Jayaram B. FEBS Lett; 2005 Dec 05; 579(29):6659-66. PubMed ID: 16307743 [Abstract] [Full Text] [Related]
9. Characterization of domain-peptide interaction interface: a case study on the amphiphysin-1 SH3 domain. Hou T, Zhang W, Case DA, Wang W. J Mol Biol; 2008 Feb 29; 376(4):1201-14. PubMed ID: 18206907 [Abstract] [Full Text] [Related]
10. 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]
19. Continued development of an empirical function for predicting and rationalizing protein-protein binding affinities. Audie J. Biophys Chem; 2009 Aug 01; 143(3):139-44. PubMed ID: 19487068 [Abstract] [Full Text] [Related]
20. Rough set-based proteochemometrics modeling of G-protein-coupled receptor-ligand interactions. Strömbergsson H, Prusis P, Midelfart H, Lapinsh M, Wikberg JE, Komorowski J. Proteins; 2006 Apr 01; 63(1):24-34. PubMed ID: 16435365 [Abstract] [Full Text] [Related] Page: [Next] [New Search]