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In Silico Medicinal Chemistry

Computational Methods to Support Drug Design

RSC Theoretical and Computational Chemistry Series

Editor-in-Chief:

Professor Jonathan Hirst, University of Nottingham, Nottingham, UK

Series Advisory Board:

Professor Joan-Emma Shea, University of California, Santa Barbara, USA

Professor Dongqing Wei, Shanghai Jiao Tong University, China

Titles in the Series:

1: Knowledge-based Expert Systems in Chemistry: Not Counting on Computers

2: Non-Covalent Interactions: Theory and Experiment

3: Single-Ion Solvation: Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities

4: Computational Nanoscience

5: Computational Quantum Chemistry: Molecular Structure and Properties in Silico

6: Reaction Rate Constant Computations: Theories and Applications

7: Theory of Molecular Collisions

8: In Silico Medicinal Chemistry: Computational Methods to Support Drug Design

How to obtain future titles on publication:

A standing order plan is available for this series. A standing order will bring delivery of each new volume immediately on publication.

For further information please contact:

Book Sales Department, Royal Society of Chemistry, Thomas Graham House, Science Park, Milton Road, Cambridge, CB4 0WF, UK

Telephone: +44 (0)1223 420066, Fax: +44 (0)1223 420247, Email: booksales@rsc.org

Visit our website at www.rsc.org/books

In Silico Medicinal Chemistry

Computational Methods to Support Drug Design

Nathan Brown

The Institute of Cancer Research, London, UK

graphic

graphic

RSC Theoretical and Computational Chemistry Series No. 8

Print ISBN: 978-1-78262-163-8

PDF eISBN: 978-1-78262-260-4

ISSN: 2041-3181

A catalogue record for this book is available from the British Library

© Nathan Brown, 2016

All rights reserved

Apart from fair dealing for the purposes of research for non-commercial purposes or for private study, criticism or review, as permitted under the Copyright, Designs and Patents Act 1988 and the Copyright and Related Rights Regulations 2003, this publication may not be reproduced, stored or transmitted, in any form or by any means, without the prior permission in writing of The Royal Society of Chemistry or the copyright owner, or in the case of reproduction in accordance with the terms of licences issued by the Copyright Licensing Agency in the UK, or in accordance with the terms of the licences issued by the appropriate Reproduction Rights Organization outside the UK. Enquiries concerning reproduction outside the terms stated here should be sent to The Royal Society of Chemistry at the address printed on this page.

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The authors have sought to locate owners of all reproduced material not in their own possession and trust that no copyrights have been inadvertently infringed.

Published by The Royal Society of Chemistry,

Thomas Graham House, Science Park, Milton Road,

Cambridge CB4 0WF, UK

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