Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field (Q34459931)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field |
scientific article |
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Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field (English)
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William L Jorgensen
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Markus K Dahlgren
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Dmitry Lupyan
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Wolfgang Damm
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Lingle Wang
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Yujie Wu
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Yuqing Deng
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Byungchan Kim
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Levi Pierce
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Goran Krilov
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Shaughnessy Robinson
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Jeremy Greenwood
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Donna L Romero
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Craig Masse
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Jennifer L Knight
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Thomas Steinbrecher
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Thijs Beuming
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Ed Harder
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Woody Sherman
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Mark Brewer
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Ron Wester
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Mark Murcko
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Leah Frye
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Ramy Farid
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Teng Lin
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Bruce J Berne
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Richard A Friesner
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Robert Abel
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12 February 2015
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