Carte Theoretical Biochemistry Leif A. Eriksson

Theoretical Biochemistry

Processes and Properties of Biological Systems

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Theoretical chemistry has been an area of tremendous expansion and development over the past decade;...

Informații despre carte

Limbă
engleză
Legare
Carte - Copertă tare
Publicat
2001
Pagini
720
EAN
9780444502926
ISBN
0444502920
Enbook ID
04610785
Greutate
1430
Dimensiuni
165 x 240

Descriere completă

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.