Molecular Modelling and Drug Design

✍ Scribed by J. G. Vinter, Mark Gardner (eds.)

Publisher: Macmillan Education UK
Year: 1994
Tongue: English
Leaves: 463
Series: Topics in Molecular and Structural Biology
Category: Library

No coin nor oath required. For personal study only.

✦ Table of Contents

Front Matter....Pages i-xi
Molecular Modelling Methods....Pages 1-52
Molecular Mechanics: Problems and Potential....Pages 53-88
The Global Minimum Problem in Molecular Mechanics: Simulated Annealing and Related Techniques....Pages 89-136
The Castlemaine Project: Development of an AI-based Drug Design Support System....Pages 137-169
A Discussion of Various Computational Methods for Drug Design....Pages 170-210
Applications of Artificial Intelligence in Molecular Modelling and Drug Design....Pages 211-265
The Calculation, Representation and Analysis of Molecular Fields....Pages 266-304
Molecular Similarity Calculations for the Rational Design of Bioactive Molecules....Pages 305-332
Multivariate QSAR and Computational Chemistry: A Novel Receptor Model of the D1 Agonist Binding Site....Pages 333-376
A Perspective of Peptide Modelling....Pages 377-416
The Developer’s Perspective — What Can Be Achieved in Hardware and Software....Pages 417-438
Back Matter....Pages 439-444

✦ Subjects

Nature Conservation; Astronomy, Astrophysics and Cosmology; Pharmacology/Toxicology; Cell Biology; Biochemistry, general

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