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Theoretical Biochemistry

Processes and Properties of Biological Systems

  • 1st Edition, Volume 9 - January 1, 2001
  • Author: Leif A. Eriksson
  • Language: English
  • Hardback ISBN:
    9 7 8 - 0 - 4 4 4 - 5 0 2 9 2 - 6
  • eBook ISBN:
    9 7 8 - 0 - 0 8 - 0 5 4 2 7 0 - 6

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… Read more

Theoretical Biochemistry

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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.