Download Annual Review of Pharmacology and Toxicology: 2003 by Arthur K. Cho, Terrence F. Blaschke, Paul A. Insel, Horace PDF

By Arthur K. Cho, Terrence F. Blaschke, Paul A. Insel, Horace H. Loh

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The range of application of this idea can be extended by using soft-core potentials in reference simulations (34). sgm LaTeX2e(2002/01/18) P1: IBD MCCAMMON reference simulation does not adequately sample the configuration states relevant to the modified systems. If a large atom or atomic group is going to be deleted, the reference simulation may not have sampled well the space, allowing the surrounding solute or solvent atoms to get closer. If a large atom or atomic group is going to be created, the reference simulations may have many configurations that create unfavorable steric clashes at the modified sites.

1996. Automated docking of flexible ligands: applications of AutoDock. J. Mol. Recognit. 9:1–5 Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE, et al. 1998. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J. Comput. Chem. 19:1639– 62 Wang W, Donini O, Reyes CM, Kollman PA. 2001. Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions.

Med. J. 2: 147–49 Jenne H, Nagasawa H, McHugh R, MacDonald F, Wyse E. 1975 Decreased theophylline half-life in cigarette smokers. Life Sci. 17:195–98 Parsons WD, Neims AH. 1978. sgm LaTeX2e(2002/01/18) ENVIRONMENTAL CONTROL OF MULTIPLE P450s 107. 108. 109. 110. 111. 112. 113. 114. 115. 116. of smoking on caffeine clearance. Clin. Pharmacol. Ther. 24:40–45 Schein JR. 1995. Cigarette smoking and clinically significant drug interactions. Ann. Pharmacother. 29:1139–48 Zevin S, Benowitz NL. 1999. Drug interactions with tobacco smoking.

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