Computational Medicinal Chemistry Set

This set provides the latest information on harnessing quantitative and computational methods, including structure-based design, molecular modelling and simulation, for medicinal chemistry.

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Modern drug discovery still relies heavily on random screening and empirical screening cascades to identify leads. As such, the process suffers high failure rates and escalating costs. Computational and quantitative approaches hold the promise of shifting the balance of success.


The books in this set provide the latest information on harnessing quantitative and computational methods for analysis, prediction and optimisation. Topics covered include structure-based design, molecular modelling, simulation and statistical models.


The set will not only be an essential reference, but also a source of inspiration for professionals in the pharmaceutical industry, and graduates interested in molecular interactions and drug discovery.


This set consists of:


Drug Design Strategies: Quantitative Approaches Edited by David J Livingstone and Andrew M Davis (978-1-84973-166-9, 2011, RSC Drug Discovery)


Computational Approaches to Nuclear Receptors Edited by Pietro Cozzini and Glen E Kellogg (978-1-84973-364-9, 2012, RSC Drug Discovery)


Physico-Chemical and Computational Approaches to Drug Discovery Edited by Javier Luque and Xavier Barril (978-1-84973-353-3, 2012, RSC Drug Discovery)


Towards Efficient Designing of Safe Nanomaterials: Innovative Merge of Computational Approaches and Experimental Techniques Edited by Jerzy Leszczynski and Tomasz Puzyn (978-1-84973-453-0, 2012, RSC Nanoscience & Nanotechnology)


Computational and Structural Approaches to Drug Discovery: Ligand-Protein Interactions Edited by Stephen Neidle and Robert Stroud (978-0-85404-365-1, 2007, RSC Biomolecular Sciences)