Theoretical Biochemistry (ePub)
Processes and Properties of Biological Systems
(Sprache: Englisch)
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...
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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.
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.
Bibliographische Angaben
- Autor: Leif A. Eriksson
- 2001, 720 Seiten, Englisch
- Verlag: Elsevier Science & Techn.
- ISBN-10: 0080542700
- ISBN-13: 9780080542706
- Erscheinungsdatum: 19.02.2001
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- Dateiformat: ePub
- Grösse: 16 MB
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Sprache:
Englisch
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Pressezitat
A.S. Edison, University of Florida"Researchers working on any of the applications covered in the book will find very stimulating chapters that do a fine job of demonstrating the power of combining theory with experiment."
Journal of the American Chemical Society, 2002
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