Computational approaches to biochemical reactivity /

This book summarises recent results in the rapidly developing discipline of the computational aspects of biochemical reactivity. It presents a comprehensive and critical treatise on the subject, with numerous references covering practically all relevant and recent work. The chapters, written by emin...

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Bibliographic Details
Call Number:Libro Electrónico
Other Authors: Náray-Szabó, Gábor, Warshel, Arieh
Format: Electronic eBook
Language:Inglés
Published: New York : Kluwer Academic, ©2002.
Series:Understanding chemical reactivity ; v. 19.
Subjects:
Biochemistry > Mathematical models.
Enzyme kinetics.
Quantum biochemistry.
Ligand binding (Biochemistry) > Mathematical models.
Biochimie > Modèles mathématiques.
Cinétique enzymatique.
Biochimie quantique.
Ligands (Biochimie) > Fixation > Modèles mathématiques.
SCIENCE > Life Sciences > Biochemistry.
Biochemistry > Mathematical models
Enzyme kinetics
Ligand binding (Biochemistry) > Mathematical models
Quantum biochemistry
Online Access:Texto completo
Table of Contents:
  • Preface
  • 1. Quantum Mechanical Models for Reactions in Solution
  • 2. Free Energy Perturbation Calculations within Quantum Mechanical Methodologies
  • 3. Hybrid Potentials for Molecular Systems in the Condensed Phase
  • 4. Molecular Mechanics and Dynamics Simulations of Enzymes
  • 5. Electrostatic Interactions in Proteins
  • 6. Electrostatic Basis of Enzyme Catalysis
  • 7. On the Mechanisms of Proteinases
  • 8. Modelling of Proton Transfer Reactions in Enzymes
  • 9. Protein-Ligand Interactions
  • Subject Index.

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