Collaborating to improve the use of free-energy and other quantitative methods in drug discovery-Reference-Cited by-同舟云学术

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery

Published:2016-12 Issue:12 Volume:30 Page:1139-1141
ISSN:0920-654X
Container-title:Journal of Computer-Aided Molecular Design
language:en
Short-container-title:J Comput Aided Mol Des

Author:

Sherborne Bradley,Shanmugasundaram Veerabahu,Cheng Alan C.,Christ Clara D.,DesJarlais Renee L.,Duca Jose S.,Lewis Richard A.,Loughney Deborah A.,Manas Eric S.,McGaughey Georgia B.,Peishoff Catherine E.,van Vlijmen Herman

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery

Link

http://link.springer.com/content/pdf/10.1007/s10822-016-9996-y.pdf

Reference4 articles.

1. Bash PA, Singh UC, Brown FK, Langridge R, Kollman PA (1987) Science 235(4788):574–576

2. Wang L, Wu Y, Deng Y, Kim B, Pierce L, Krilov G, Lupyan D, Robinson S, Dahlgren MK, Greenwood J, Romero DL, Masse C, Knight JL, Steinbrecher T, Beuming T, Damm W, Harder E, Sherman W, Brewer M, Wester R, Murcko M, Fye L, Farid R, Lin T, Mobley DL, Jorgensen WL, Berne BJ, Freisner RA, Abel R (2015) J Am Chem Soc 137(7):2695–2703

3. D3R website at https://drugdesigndata.org/

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