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
Wang, Lingle, Wu, Yujie, Deng, Yuqing, Kim, Byungchan, Pierce, Levi, Krilov, Goran, Lupyan, Dmitry, Robinson, Shaughnessy, Dahlgren, Markus K., Greenwood, Jeremy, Romero, Donna L., Masse, Craig, KnighТом:
137
Мова:
english
Журнал:
Journal of the American Chemical Society
DOI:
10.1021/ja512751q
Date:
February, 2015
Файл:
PDF, 37.64 MB
english, 2015
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