Computational Approaches to Biochemical Reactivity

A quantitative description of the action of enzymes and other biological systems is both a challenge and a fundamental requirement for further progress in our und- standing of biochemical processes. This can help in practical design of new drugs and in the development of artificial enzymes as well a...

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Bibliographic Details
Other Authors: Náray-Szabó, Gábor (Editor), Warshel, Arieh (Editor)
Format: eBook
Language:English
Published: Dordrecht Springer Netherlands 2002, 2002
Edition:1st ed. 2002
Series:Understanding Chemical Reactivity
Subjects:
Online Access:
Collection: Springer Book Archives -2004 - Collection details see MPG.ReNa
Table of Contents:
  • Quantum Mechanical Models for Reactions in Solution
  • Free Energy Perturbation Calculations within Quantum Mechanical Methodologies
  • Hybrid Potentials for Molecular Systems in the Condensed Phase
  • Molecular Mechanics and Dynamics Simulations of Enzymes
  • Electrostatic Interactions in Proteins
  • Electrostatic Basis of Enzyme Catalysis
  • On the Mechanisms of Proteinases
  • Modelling of Proton Transfer Reactions in Enzymes
  • Protein-Ligand Interactions