Due to tremendous effort, free energy simulation has become a useful tool in chemistry, biophysics, and drug discovery. In the recent years, due to the efficiency limitation, free energy simulation has not shown long-time promised capabilities, in particular in the industrial applications. With the introductions of advanced algorithms and the increases of computing powers, we start observing some initial reincarnation of general free energy simulation strategy in both academic researches and industrial applications. At this moment, we would like to gather active scientists and leaders in this area to exchange ideas and look into the future.
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Participant | Organization | ||||
Andricioaei, Ioan | Univ California Irvine | ||||
Arrar, Mehrnoosh | University of California, San Diego | ||||
Darve, Eric | Stanford | ||||
Fujitani, Hideaki | University of Tokyo | ||||
Gilson, Michael | UC San Diego | ||||
Guimaraes, Cristiano | Pfizer | ||||
Hansen, Niels | ETH Zürich | ||||
Hirata, Fumio | Institute for Molecular Science | ||||
Koenig, Gerhard | NIH/NHLBI/LCB | ||||
Langmead, Christopher | Carnegie Mellon University | ||||
Merz, Kenneth | Univ. of Florida | ||||
Mobley, David | University of New Orleans | ||||
Palma, Nuno | BIAL Department of Research & Development | ||||
Pu, Jingzhi | IUPUI | ||||
Schmidler, Scott | Duke University | ||||
Schnieders, Michael | U. of Texas at Austin | ||||
Shirts, Michael | University of Virginia | ||||
Wereszczynski, Jeff | University of California, San Diego | ||||
Wu, Yujie | Schrodinger LLC. | ||||
Xu, Huafeng | D. E. Shaw Research | ||||
Yang, Wei | FSU | ||||
Zhou, Ruhong | IBM Watson Lab | ||||
Zuckerman, Daniel | University of Pittsburgh | ||||