Analysis of CYP2D6 substrate interactions by computational methods

Y Ito; H Kondo; PS Goldfarb; DFV Lewis

doi:10.1016/j.jmgm.2007.07.004

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Journal article

Analysis of CYP2D6 substrate interactions by computational methods

Y Ito, H Kondo, PS Goldfarb and DFV Lewis

JOURNAL OF MOLECULAR GRAPHICS & MODELLING, Vol.26(6), pp.947-956

01/02/2008

DOI: https://doi.org/10.1016/j.jmgm.2007.07.004

Abstract

Science & Technology

Life Sciences & Biomedicine

Technology

Physical Sciences

Biochemical Research Methods

Biochemistry & Molecular Biology

Computer Science

Interdisciplinary Applications

Crystallography

Mathematical & Computational Biology

Computer Science

BIOCHEMICAL RESEARCH METHODS

BIOCHEMISTRY & MOLECULAR BIOLOGY

COMPUTER SCIENCE

INTERDISCIPLINARY APPLICATIONS

CRYSTALLOGRAPHY

MATHEMATICAL & COMPUTATIONAL BIOLOGY

cytochrome P450 (CYP)

automated docking

homology modelling

molecular dynamics (MD)

site-directed mutagenesis

HUMAN CYTOCHROME-P450 ACTIVITIES

GENETIC ALGORITHM

ACTIVE-SITE

STRUCTURE PREDICTION

STRUCTURAL GENOMICS

ANGSTROM RESOLUTION

MOLECULAR-DYNAMICS

DRUG-METABOLISM

AMINO-ACID

2D6

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Title: Analysis of CYP2D6 substrate interactions by computational methods
Creators: Y Ito
H Kondo
PS Goldfarb
DFV Lewis
Publication Details: JOURNAL OF MOLECULAR GRAPHICS & MODELLING, Vol.26(6), pp.947-956
Publisher: ELSEVIER SCIENCE INC
Date published: 01/02/2008
Date submitted: 17/05/2017
Identifiers: 99513666002346
Academic Unit: University of Surrey
Language: English
Resource Type: Journal article

Analysis of CYP2D6 substrate interactions by computational methods

Abstract

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