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Computational chemistry / Protein structure / Molecular modelling / Protein methods / Drug design / Docking / Molecular mechanics / Spartan / De novo protein structure prediction / Chemistry / Science / Bioinformatics


COMPUTER AIDED DRUG DEVELOPMENT
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Document Date: 2008-02-20 05:02:02


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Company

John Wiley & Sons Inc. / S.A.S. / Protein Data Bank / Quantum chemical / Energy Estimation Ab / Cancer Informatics Future Scope References CO / COMPUTATIONAL BIOLOGY THREADING AB / /

Facility

Francis National Institute of Pharmaceutical Education / /

IndustryTerm

chemical accuracy / random search / chemical reactions / chemical intuition / systematic search / systematic conformational search / chemical calculations / chemicals/biochemicals / chemical properties / Manual conformational search / conformational search / genetic algorithms / chemical shifts / chemical procedures / chemistry software packages / Information technology / data bank / chemical phenomena / side chains / physical and chemical properties / chemical species / software packages / chemical/biochemical analysis / random conformational search method / chemical methods / chemical analysis / expert systems / pharmaceutical sciences / energy / /

Organization

National Institute of Pharmaceutical Education / /

Person

Shayne Cox Gad / Prasad V. Bharatam / /

Position

*Corresponding author / drug discovery scientist / chemist / /

Product

S.A.S / /

Technology

Random search Monte Carlo method Molecular dynamics Genetic algorithm / Expert system / Drug Metabolism / drug discovery / Bioinformatics / molecular modeling / X-ray / Information technology / rational drug design / Computational Chemistry / DRUG DESIGN / Chemoinformatics / simulation / drug development / /

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