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.
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.
