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Molecular Modelling: Computational Chemistry Demystifiedby Peter Bladon
Synopses & Reviews
Unlike many other textbooks in this field, the authors avoid extensive discussion around complex mathematical foundations behind the methods, choosing instead to provide the reader with the choice of methods themselves. Critical to the success of the book is the inclusion of CD and DVDs that provide a comprehensive suite of modelling software and datasets. Pointers are given to sources of further information making this is an indispensible resource for readers wanting to make immediate practical use of Molecular Modelling.
This book is a practical, easy to use guide for readers with limited experience of molecular modelling. Includes a CD and DVD that provide a comprehensive suite of modelling software and datasets.
About the Author
Following from a PhD at St Andrews and postdoctoral research at the University of Strathclyde, John Gorton devoted his career to teaching chemistry and physics at secondary school level at Dumbarton Academy. He has a wide experience of building and configuring computers for scientific and general use. Peter Bladon has been an Honorary Reader in the Department of Chemistry at University of Strathclyde since his retirement in 1991. With a background of forty years of teaching organic chemistry and spectrometry, he turned his attention to designing molecular modelling software and co-launched INTERCHEM. Robert B Hammond is currently Lecturer in the Institute of Particle Science and Engineering at the University of Leeds. He is an experienced formulation scientist and process engineering and developer of computer code for crystal structure prediction.
Table of Contents
Introduction; Computers for Molecular Modelling; Software for Molecular Modelling and Computational Chemistry; Using INTERCHEM for molecular modelling; Molecular Modelling of Proteins and Nucleic acids; Essential Information on Crystal Structures; Solid State Molecular Modelling; The Source of Archived 3D Chemical Structure Information; Molecular Modelling and Medicinal Chemistry; Appendices.
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