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Medicinal chemistry / Molecular modelling / Protein structure / Cheminformatics / Quantitative structure–activity relationship / Docking / Accessible surface area / Molecule / Chemistry / Computational chemistry / Science


Chemical and physical property prediction from electronic properties of molecular surfaces • Cytochrome P450 drug metabolism prediction* • Ligand docking - improved accuracy** • 3D QSAR & QSPR - novel electronic de
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Document Date: 2010-03-17 17:49:28

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City

Portsmouth / /

Company

CAChe Research LLC / Ligand / Cepos InSilico Limited. / /

Continent

Americas / /

Country

Germany / United Kingdom / France / /

Currency

pence / USD / /

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IndustryTerm

authorized distributor / license server / enthalpy and free energy / simulation software / shape matching algorithms / Chemical and physical property prediction / /

OperatingSystem

Microsoft Windows / Linux / /

Person

Violeta I. Pérez-Nueno / /

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ProvinceOrState

Oregon / /

Technology

drug metabolism / conventional shape matching algorithms / simulation / Linux / marching-cube algorithms / /

URL

http /

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