Overview

This volume seeks to understand biological processes by taking a multi-disciplinary approach, employing the tools of biology, chemistry and physics. These approaches focus on biomacromolecules and their functions, which includes how they interact and react, and how information is transmitted between them. The text concentrates on quantum mechanical simulation techniques, which have developed rapidly in recent years. This covers quantum mechanical calculations of large systems, molecular dynamics combining quantum and classical algorithms, quantum dynamical simulations, and electron-proton transfer processes in proteins and solutions.

Full Product Details

Author:   Dominique Bicout ,  Martin Field
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Imprint:   Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Edition:   1996 ed.
Volume:   4
Dimensions:   Width: 17.00cm , Height: 1.80cm , Length: 24.40cm
Weight:   0.568kg
ISBN:  

9783540608691

ISBN 10:   3540608699
Pages:   311
Publication Date:   11 March 1996
Audience:   College/higher education ,  Professional and scholarly ,  Postgraduate, Research & Scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Out of stock  
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Table of Contents

Lecture 1 Density functional theory.- Lecture 2 Practical density functional approaches in chemistry and biochemistry.- Lecture 3 A quantum chemical view of the initial photochemical event in photosynthesis.- Lecture 4 Curve crossing in a protein: coupling of the elementary quantum process to motions of the protein.- Lecture 5 Quantum-classical molecular dynamics. Models and applications.- Lecture 6 Quantum dynamics simulation of a small quantum system embedded in a classical environment.- Lecture 7 A tubular view of electron transfer in azurin.- Lecture 8 Biological electron transfer: measurement, mechanism, engineering requirements.- Lecture 9 The photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation.- Lecture 10 Quantum chemistry of in situ retinal: study of the spectral properties and dark adaptation of Bacteriorhodopsin.- Lecture 11 Towards an understanding of quantum factors in small ligand geminate recombination to heure proteins.- Lecture 12 A parallel direct SCF method for large molecular systems.- Lecture 13 Multigrid electrostatic computations in density functional theory.- Lecture 14 Symmetry-oriented research of polymers PC program POLSym and DNA.

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