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Theoretical Biochemistry: Processes and Properties of Biological Systems Volume 9

Theoretical Biochemistry: Processes and Properties of Biological Systems Volume 9

by Eriksson, Leif A
No customer reviews yet ISBN 9780444502926

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 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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Pub dateFeb 19, 2001
ISBN-100444502920
ISBN-139780444502926
LanguageEnglish
Last updated 2026-08-03 08:12
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