Argonne Leadership Computing Facility

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Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

Published 12/01/2017

Publication Journal of Chemical Information and Modeling

Authors

Zoe Cournia , Bryce Allen, Woody Sherman

Publication Date

2017

Name of Publication Source

Journal of Chemical Information and Modeling

Publisher

ACS

Volume

Issue

Page Numbers

2911-2937

DOI

10.1021/acs.jcim.7b00564

Source Link

http://pubs.acs.org/doi/abs/10.1021/acs.jcim.7b00564

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Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations