Enzyme-substrate binding interaction energies and their application to the cytochrome P450 system

DFV Lewis; Y Ito; PS Goldfarb

doi:10.2174/157340908784533274

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Enzyme-substrate binding interaction energies and their application to the cytochrome P450 system

Journal article

Peer reviewed

Enzyme-substrate binding interaction energies and their application to the cytochrome P450 system

DFV Lewis, Y Ito and PS Goldfarb

CURRENT COMPUTER-AIDED DRUG DESIGN, Vol.4(2), pp.111-122

01/06/2008

DOI: https://doi.org/10.2174/157340908784533274

Abstract

Science & Technology

Life Sciences & Biomedicine

Technology

Chemistry

Medicinal

Computer Science

Interdisciplinary Applications

Pharmacology & Pharmacy

Computer Science

CHEMISTRY

MEDICINAL

COMPUTER SCIENCE

INTERDISCIPLINARY APPLICATIONS

cytochrome P450

substrate-binding energy calculation

AUTOMATED DOCKING

DRUG-METABOLISM

LIGAND DOCKING

HYDROGEN-BOND

FORCE-FIELD

PREDICTION

CONSTANTS

PROTEINS

LIPOPHILICITY

ASSOCIATIONS

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Details

Title: Enzyme-substrate binding interaction energies and their application to the cytochrome P450 system
Creators: DFV Lewis
Y Ito
PS Goldfarb
Publication Details: CURRENT COMPUTER-AIDED DRUG DESIGN, Vol.4(2), pp.111-122
Publisher: BENTHAM SCIENCE PUBL LTD
Date published: 01/06/2008
Date submitted: 17/05/2017
Identifiers: 99511949102346
Academic Unit: University of Surrey
Language: English
Resource Type: Journal article

Enzyme-substrate binding interaction energies and their application to the cytochrome P450 system

Abstract

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