Computer-aided molecular design under the SWOTlight

被引：12

作者：

Green, Darren V. S. ^{[2
]}

Leach, Andrew R. ^{[2
]}

Head, Martha S. ^{[1
]}

机构：

[1] GlaxoSmithKline, Collegeville, PA 19426 USA

[2] GlaxoSmithKline Med Res Ctr, Stevenage, Herts, England

来源：

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | 2012年 / 26卷 / 01期

关键词：

Drug Discovery; Virtual Screening; ADMET; Word Cloud; Computational Chemistry Group;

D O I：

10.1007/s10822-011-9514-1

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

[No abstract available]

引用

页码：51 / 56

页数：6

共 5 条

[1] Accelerating Molecular Dynamic Simulation on Graphics Processing Units [J].

Friedrichs, Mark S. ;

Eastman, Peter ;

Vaidyanathan, Vishal ;

Houston, Mike ;

Legrand, Scott ;

Beberg, Adam L. ;

Ensign, Daniel L. ;

Bruns, Christopher M. ;

Pande, Vijay S. .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2009, 30 (06) :864-872

[2]

Fry S, 2011, NAT REV DRUG DISCOV, V10, P409

[3] Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction [J].

Kazantsev, Andrei V. ;

Karamertzanis, Panagiotis G. ;

Adjiman, Claire S. ;

Pantelides, Constantinos C. ;

Price, Sarah L. ;

Galek, Peter T. A. ;

Day, Graeme M. ;

Cruz-Cabeza, Aurora J. .

INTERNATIONAL JOURNAL OF PHARMACEUTICS, 2011, 418 (02) :168-178

[4] To measure is to know: an approach to CADD performance metrics [J].

Loughney, Deborah ;

Claus, Brian L. ;

Johnson, Stephen R. .

DRUG DISCOVERY TODAY, 2011, 16 (13-14) :548-554

[5] PRINCIPLES OF ENGINEERING DESIGN [J].

PENNY, RK .

POSTGRADUATE MEDICAL JOURNAL, 1970, 46 (536) :344-&

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