Molecular Modelling for Beginners
- ISBN-10
- 0470030054
- ISBN-13
- 9780470030059
- Category
- Science
- Pages
- 428
- Language
- English
- Published
- 2005-12-17
- Publisher
- John Wiley & Sons
- Author
- Alan Hinchliffe
Description
Presenting a concise, basic introduction to modelling and computational chemistry this text includes relevant introductory material to ensure greater accessibility to the subject. Provides a comprehensive introduction to this evolving and developing field Focuses on MM, MC, and MD with an entire chapter devoted to QSAR and Discovery Chemistry. Includes many real chemical applications combined with worked problems and solutions provided in each chapter Ensures that up-to-date treatment of a variety of chemical modeling techniques are introduced.
Get the book
Other editions
Similar books
-
Molecular Modeling Basics
By Jan H. JensenThe results, however, have not become easier to understand. Addressing the need for a "workshop-oriented" book, Molecular Modeling Basics provides the fundamental theory needed to understand
-
Molecular Modeling: Basic Principles and Applications
By Hans-Dieter Höltje, Gerd FolkersEin Buch von Praktikern für Praktiker! Es beschreibt die Grundlagen des Molecular Modeling gerade soweit, wie man sie kennen muß, um die erhaltenen Ergebnisse kompetent beurteilen zu können.
-
Computational Chemistry and Molecular Modeling: Principles and Applications
By K. I. Ramachandran, Gopakumar Deepa, Krishnan NambooriThe gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook.
-
Molecular Modeling and Simulation: An Interdisciplinary Guide
By Tamar SchlickVery broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably ...
-
Understanding Molecular Simulation: From Algorithms to Applications
By Daan Frenkel, Berend Smit[64] P. Diaconis, S. Holmes, and R.M. Neal. Analysis of a non-reversible Markov chain sampler. ... [67] R.E. Gillilan and K.R. Wilson. ... [69] W.C. Swope, H.C. Andersen, P.H. Berens, and K.R. Wilson. A computer simulation method for ...
-
Introduction to Theoretical Organic Chemistry and Molecular Modelling
By William B. Smith"Introduction to Theoretical Organic Chemistry" provides an introduction for chemists with a limited mathematical background, yet need a working understanding of quantum chemistry as applied to problems in organic chemistry....
-
An Introduction to Molecular Modelling, from Theory to Application
By Dimitrios VlachakisA brief introduction to the basic knowledge underlying modern molecular modelling
-
Chemical Applications of Molecular Modelling
By Jonathan M. GoodmanAs computers become an important part of everyday life, molecular modelling is affecting all parts of chemistry, and is particularly useful in organic chemistry. But how does it work? How...
-
Guidebook on Molecular Modeling in Drug Design
By N. Claude CohenThe molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund).
-
Molecular Modelling: Principles and Applications
By Andrew R. Leach1. Useful concepts in molecular modelling 1; 2. Quantum mechanical models 25; 3. Empirical force field models: molecular mechanics 131; 4. Energy minimisation and related methods for exploring the energy...