Molecular Modelling and Drug Design / Edition 1

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Overview

This book provides a myriad of fresh ideas and energetic approaches to the newer aspects of everyday drug modelling. With contributions from some of the best young talents of today, Molecular Modelling and Drug Design encourages a break from old traditions and probes the unexplored avenues of the modelling tool. The contributors' views act as a gauge to future trends in computer-aided drug design-an area that continues to expand and play an ever more significant role in drug discovery.

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Editorial Reviews

P. Kusnirikova
Molecular modeling has developed over the last twenty years largely and is now a very broad area. In this book, the authors have attempted to collect together some of the best young talents, with a mandate to report without restriction on what interest them. The resulting collection of broad topics and fresh thinking provides the reader with a taste of the future in drug design and the encouragement to break from the old traditions and probe hitherto unexplored avenues of the modeling tool.
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Product Details

Table of Contents

Preface.
Molecular Modelling Methods, W. Wylie.
Molecular Mechanics: Problems and Potential, J. Goodman.
The Global Minimum Problem in Molecular Mechanics: Simulated Annealing and Related Techniques, S.D. Morley.
The Castlemaine Project: Development of an AI-Based Drug Design Support System, E. Hodgkin.
A Discussion of Various Computational Methods for Drug Design, R. Lewis and E. Meng.
Applications of Artificial Intelligence in Molecular Modelling and Drug Design, A. Leach.
The Calculation, Representation, and Analysis of Molecular Fields, P.W. Finn.
Molecular Similarity Calculations for the Rational Design of Bioactive Materials, C. Burt.
Multivariate OSAR and Computational Chemistry: A Novel Receptor Model of the D1 Agonist Binding Site, D. Manallack.
A Perspective of Peptide Modelling, H. Broughton.
The Developer's Perspective-What Can be Achieved in Hardware and Software, M. Sauders.
Index.

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