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Predicting absolute ligand binding free energies to a simple model site.
Mobley DL, Graves AP, Chodera JD, McReynolds AC, Shoichet BK, Dill KA. Mobley DL, et al. Among authors: chodera jd. J Mol Biol. 2007 Aug 24;371(4):1118-34. doi: 10.1016/j.jmb.2007.06.002. Epub 2007 Jun 8. J Mol Biol. 2007. PMID: 17599350 Free PMC article.
Current status of the AMOEBA polarizable force field.
Ponder JW, Wu C, Ren P, Pande VS, Chodera JD, Schnieders MJ, Haque I, Mobley DL, Lambrecht DS, DiStasio RA Jr, Head-Gordon M, Clark GN, Johnson ME, Head-Gordon T. Ponder JW, et al. Among authors: chodera jd. J Phys Chem B. 2010 Mar 4;114(8):2549-64. doi: 10.1021/jp910674d. J Phys Chem B. 2010. PMID: 20136072 Free PMC article.
129 results