Theoretical Biochemistry: Volume 9 (Innbundet)

Processes and Properties of Biological Systems

Serie: Theoretical and Computational Chemistry 

Forfatter:

Forfatter:
Innbinding: Innbundet
Utgivelsesår: 2001
Antall sider: 720
Forlag: Elsevier Science & Technology
Språk: Engelsk
Serie:
ISBN/EAN: 9780444502926
Kategori: Naturvitenskap
Omtale Theoretical Biochemistry: Volume 9
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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