Conformation Generation: The State of the Art

The generation of conformations for small molecules is a problem of continuing interest in cheminformatics and computational drug discovery. This review will present an overview of methods used to sample conformational space, focusing on those methods designed for organic molecules commonly of inter...

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Veröffentlicht in:	Journal of chemical information and modeling 2017-08, Vol.57 (8), p.1747-1756
1. Verfasser:	Hawkins, Paul C. D
Format:	Artikel
Sprache:	eng
Schlagworte:	Drug Discovery - methods Models, Molecular Molecular Conformation Molecular structure Molecules Organic chemistry R&D Research & development Sampling methods Stochastic models
Online-Zugang:	Volltext
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