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

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

Biomolecular constitution and Dynamics describes fresh basic 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 loose power, functions of vibrational CD of nucleic acids, and sturdy kingdom NMR. additional displays comprise contemporary advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO equipment, empirical strength fields, quantitative stories of the constitution of proteins in water through Fourier rework IR, and density practical concept. Metal-ligand interactions, DFT remedy of organometallic and organic structures, and simulation vs. X-ray and much IR experiments also are mentioned in a few aspect.
The ebook presents a vast viewpoint of the present theoretical elements and up to date experimental findings within the box of biomolecular dynamics, revealing destiny examine developments, specially in parts the place theoreticians and experimentalists may perhaps fruitfully collaborate.

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110, 1657. (b) Jorgensen, W. L. and Severance, D. L. (1990) 1. Arn. Chern. Soc. 112,4768. (c) Jorgensen, W. , Maxwell, D. S. and Tirado-Rives, J. (1996) 1. Arn. Chern. Soc. 118, 0000. , Medina, C. -E. (1994) Protein Eng. 7, 385. (b) Aqvist, J. and Mowbray, S. M. (1995) 1. BioI. Chern. 270,9978. (c) Hansson, T. and Aqvist, J. (1995) Protein Eng. 8, 1137. Carlson, H. A. and Jorgensen, W. L. (1995) 1. Phys. Chern. 99, 10667. Paulsen, M. D. and Ornstein, R. L. (1996) Protein Eng. 9, 567. Jones-Hertzog, D.

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And Severance, D. L. (1990) 1. Arn. Chern. Soc. 112,4768. (c) Jorgensen, W. , Maxwell, D. S. and Tirado-Rives, J. (1996) 1. Arn. Chern. Soc. 118, 0000. , Medina, C. -E. (1994) Protein Eng. 7, 385. (b) Aqvist, J. and Mowbray, S. M. (1995) 1. BioI. Chern. 270,9978. (c) Hansson, T. and Aqvist, J. (1995) Protein Eng. 8, 1137. Carlson, H. A. and Jorgensen, W. L. (1995) 1. Phys. Chern. 99, 10667. Paulsen, M. D. and Ornstein, R. L. (1996) Protein Eng. 9, 567. Jones-Hertzog, D. K. and Jorgensen, W. , submitted for publication.

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