AutoGrow 3.0: An improved algorithm for chemically tractable, semi-automated protein inhibitor design

Author:

Durrant Jacob D.,Lindert Steffen,McCammon J. Andrew

Funder

NIH

NSF

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference47 articles.

1. The protein data bank;Berman;Nucleic Acids Research,2000

2. Successful applications of computer aided drug discovery: moving drugs from concept to the clinic;Talele;Current Topics in Medicinal Chemistry,2010

3. Computer-based de novo design of drug-like molecules;Schneider;Nature Reviews Drug Discovery,2005

4. Computer-aided drug discovery: two antiviral drugs for HIV/AIDS;McCammon,2012

5. AutoGrow: a novel algorithm for protein inhibitor design;Durrant;Chemical Biology and Drug Design,2009

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