Annual Reports in Computational Chemistry, Vol. 4 by Ralph A. Wheeler, David C. Spellmeyer

By Ralph A. Wheeler, David C. Spellmeyer

Annual stories in Computational Chemistry is a brand new periodical delivering well timed and significant experiences of significant subject matters in computational chemistry as utilized to all chemical disciplines. themes coated contain quantum chemistry, molecular mechanics, strength fields, chemical schooling, and functions in educational and commercial settings. every one quantity is geared up into (thematic) sections with contributions written by way of specialists. concentrating on the latest literature and advances within the box, every one article covers a selected subject of value to computational chemists. Annual experiences in Computational Chemistry is a "must" for researchers and scholars wishing to stick updated on present advancements in computational chemistry.

* wide insurance of computational chemistry and up to date details
* issues lined comprise bioinformatics, drug discovery, protein NMR, simulation methodologies, and functions in educational and commercial settings
* every one bankruptcy reports the latest literature on a selected subject of curiosity to computational chemists

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72. E. The structures of cytochrome c and the rates of molecular evolution. J. Mol. Evol. 1971, 1(1), 26–45. 73. M. Protein–protein interfaces: Analysis of amino acid conservation in homodimers. Proteins 2001, 42(1), 108–24. 74. Grantham, R. Amino acid difference formula to help explain protein evolution. Science 1974, 185(4154), 862–4. 75. , et al. Are protein–protein interfaces more conserved in sequence than the rest of the protein surface? Protein Sci. 2004, 13(1), 190–202. Structural Perspectives on Protein Evolution 21 76.

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M. New opportunities for protease ligand-binding site comparisons using SitesBase. Biochem. Soc. Trans. 2007, 35, 561–5. 43. , Cruciani, G. A novel strategy for improving ligand selectivity in receptor-based drug design. J. Med. Chem. 1995, 38, 4637–47. 44. , Fox, T. GRID/CPCA: A new computational tool to design selective ligands. J. Med. Chem. 2000, 43, 3033–44. 45. , Wang, B. Chemometrical classification of ephrin ligands and Eph kinases using GRID/CPCA approach. J. Chem. Inf. Comput. Sci. 2003, 43, 1004–10.

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