Integrated structure- and ligand-basedin silicoapproach to predict inhibition of cytochrome P450 2D6-Reference-Cited by-同舟云学术

Integrated structure- and ligand-basedin silicoapproach to predict inhibition of cytochrome P450 2D6

Published:2015-08-26 Issue: Volume: Page:btv486
ISSN:1367-4803
Container-title:Bioinformatics
language:en
Short-container-title:Bioinformatics

Author:

Martiny Virginie Y.,Carbonell Pablo,Chevillard Florent,Moroy Gautier,Nicot Arnaud B.,Vayer Philippe,Villoutreix Bruno O.,Miteva Maria A.

Publisher

Oxford University Press (OUP)

Subject

Computational Mathematics,Computational Theory and Mathematics,Computer Science Applications,Molecular Biology,Biochemistry,Statistics and Probability

Link

http://academic.oup.com/bioinformatics/article-pdf/31/24/3930/17345188/btv486.pdf

Reference57 articles.

1. In silico methods for predicting drug–drug interactions with cytochrome P-450s, transporters and beyond

2. The protein data bank: A computer-based archival file for macromolecular structures

3. The nasty surprise of a complex drug–drug interaction

4. Structure-based ligand design to overcome CYP inhibition in drug discovery projects

5. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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