Theoretical Biochemistry - Processes and Properties of Biological Systems

Theoretical Biochemistry - Processes and Properties of Biological Systems (Theoretical and Computational Chemistry)
By L.A. Eriksson
Publisher: Elsevier Science
Number Of Pages: 718
Publication Date: 2001-01-01
ISBN-10 / ASIN: 0444502920
ISBN-13 / EAN: 9780444502926
Binding: Hardcover

Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically read.freeduan.com or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science.

This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.

A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA.

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