Molecular Modeling / Edition 1

Molecular Modeling / Edition 1

by Hans-Dieter Holtje
     
 

ISBN-10: 3527293841

ISBN-13: 9783527293841

Pub. Date: 10/24/1996

Publisher: Wiley

Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations.
Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations

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Overview

Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations.
Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules.
A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!

Product Details

ISBN-13:
9783527293841
Publisher:
Wiley
Publication date:
10/24/1996
Series:
Methods and Principles in Medicinal Chemistry Series, #5
Edition description:
Older Edition
Pages:
194
Product dimensions:
6.87(w) x 9.65(h) x 0.61(d)

Table of Contents

Generation of 3 D coordinates
Computational tools for geometry optimizations
Conformational analysis
Determination of molecular interaction potentials
Pharmacophore identification
The use of data bases
Introduction to protein modeling
Knowledge-based protein modeling
Optimization procedures - model refinement - molecular dynamics

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