Download PDF by J. Janin (auth.), Gérard Vergoten, Theophile Theophanides: Biomolecular Structure and Dynamics

By J. Janin (auth.), Gérard Vergoten, Theophile Theophanides (eds.)

ISBN-10: 9401063079

ISBN-13: 9789401063074

ISBN-10: 9401154848

ISBN-13: 9789401154840

Biomolecular constitution and Dynamics describes fresh primary advances within the experimental and theoretical research of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the constitution of proteins and its prediction, time resolved Fourier remodel IR spectroscopy of biomolecules, the computation of unfastened power, functions of vibrational CD of nucleic acids, and reliable country NMR. additional displays contain contemporary advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO equipment, empirical strength fields, quantitative experiences of the constitution of proteins in water by way of Fourier rework IR, and density sensible thought. Metal-ligand interactions, DFT therapy of organometallic and organic platforms, and simulation vs. X-ray and much IR experiments also are mentioned in a few element.
The ebook presents a wide viewpoint of the present theoretical points and up to date experimental findings within the box of biomolecular dynamics, revealing destiny learn tendencies, in particular in parts the place theoreticians and experimentalists might fruitfully collaborate.

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R. (1971) J. Opt. Soc. Amer. N. B. (1977) J. Opt. Soc. Amer. , MORALDI, M. C. (1985) Malec. Phys. , STEINHAUSER, S. HIRSCHMUGL, C. C. (1992) Biophys. J. 61, 276 SOUAILLE, M. C. in preparation SEMIEMPIRICAL AND AB INITIO MODELING OF CHEMICAL PROCESSES From aqueous solution to enzymes. Richard P. Muller, Jan Aorian, Arieh Warshel* Department of Chemistry University of Southern California Los Angeles, California, 90089-1062, USA 1. Introduction The origin of the catalytic power of enzymes is one of the most fundamental problems in molecular biophysics.

1994) Structure 2, 577. (c) Jorgensen, W. L. (1991) Cherntracts - Org. Chern. 4,91. (d) Kollman, P. A. (1993) Chern. Rev. 93,2395. Jorgensen, W. L. and Tirado-Rives, J. (1996) 1. Phys. Chern. 100, 14508. See, for example: Jorgensen, W. L. and Nguyen, T. B. (1993) Proc. Natl. Acad. Sci. USA 90, 1194. Duffy, E. M. and Jorgensen, W. L. (1994) 1. Arn. Chern. Soc. 116,6337. Jorgensen, W. , Madura, J. , Impey, R. W. and Klein, M. L. (1983) 1. Chern. Phys. 79,926. (a) Jorgensen, W. L. and Tirado-Rives, J.

Acknowledgments Gratitude is expressed to the National Institutes of Health and the National Science Foundation for support of this research. 8. References 1. 2. 3. 4. 5. 6. 7. 8. 9. 10. 11. 12. (a) Lybrand, T. P. (1995) Curro Opin. Struct. BioI. 5, 224. (b) Verlinde, C. L. M. J. and HoI, W. G. H. (1994) Structure 2, 577. (c) Jorgensen, W. L. (1991) Cherntracts - Org. Chern. 4,91. (d) Kollman, P. A. (1993) Chern. Rev. 93,2395. Jorgensen, W. L. and Tirado-Rives, J. (1996) 1. Phys. Chern. 100, 14508.

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Biomolecular Structure and Dynamics by J. Janin (auth.), Gérard Vergoten, Theophile Theophanides (eds.)


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