Computational Approaches to Biochemical Reactivity

• Corporate Author: SpringerLink (Online service)
• Other Authors: Náray-Szabó, Gábor (Editor), Warshel, Arieh (Editor)
• Format: Electronic eBook
• Language: English
• Published: Dordrecht : Springer Netherlands, 2002.
• Series: Understanding Chemical Reactivity ; 19
• Subjects: Life sciences.; Chemoinformatics.; Physical chemistry.; Biochemistry.; Biophysics.; Biological physics.; Life Sciences.; Biochemistry, general.; Physical Chemistry.; Computer Applications in Chemistry.; Biophysics and Biological Physics.

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...

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.