ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics.

ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics.

We present ElectroShape, a novel ligand-based virtual screening method, that combines shape and electrostatic information into a single, unified framework. Building on the ultra-fast shape recognition (USR) approach for fast non-superpositional shape-based virtual screening, it extends the method by...

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Bibliographic Details
Main Authors:	Armstrong, MS, Morris, G, Finn, P, Sharma, R, Moretti, L, Cooper, R, Richards, W
Format:	Journal article
Language:	English
Published:	2010

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