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Molecular Dynamics Simulations and Drug Discovery

Molecular Dynamics Simulations and Drug Discovery

Paperback (23 Jul 2015)

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Publisher's Synopsis

This review discusses the many roles atomistic computer simulations of macromolecular (for example, protein) receptors and their associated small-molecule ligands play in drug discovery, including the identification of cryptic or allosteric binding sites, the enhancement of traditional virtual-screening methodologies, and the direct prediction of small-molecule binding energies. Proceeds from the sale of this book go to the support of an elderly disabled person.

Book information

ISBN: 9781515200147
Publisher: Createspace Independent Publishing Platform
Imprint: Createspace Independent Publishing Platform
Pub date:
Weight: -1g