Prof. Christophe Chipot
University of Illinois at Urbana-Champaign
Vandoeuvre-les-Nancy cedex, France, and Department of Physics
Tokyo Institute of Technology will host a one-day workshop dedicated to advanced sampling strategies and free-energy calculations, in association with the NIH Center for Macromolecular Modeling and Bioinformatics and the CNRS-University of Illinois at Urbana-Champaign Associated International Laboratory. Attendants of the workshop will be introduced to state-of-the-art simulation techniques aimed at enhancing sampling, identifying reaction paths and determining free-energy changes along them, using the popular programs NAMD and VMD. Particular emphasis will be put on host-guest recognition and association phenomena, notably protein-ligand binding. The workshop is targeted at an intermediate to advanced audience. In a hands-on session participants will be proposed different tutorials covering various aspects of free-energy calculations applied to concrete, practical cases.
|DATE：||March 5th, 2018 (10:00~17:00)|
|PLACE：||Tokyo Institute of Technology, Ookayama Campus
Global Scientific Information and Computing Center (GSIC)
|MAP：||http://www.gsic.titech.ac.jp/en/node/193 (Conference room)|
|PARTICIPANTS：||20 persons (free of charge to participate)|
|ASSISTANT：||Dr.Kazuhiro Takemura（The University of Tokyo）|
|ORGANIZER：||Toshio Watanabe（Tokyo Institute of Technology, Global Scientific Information and Computing Center (GSIC)）、Okimasa Okada(Mitsubishi Tanabe Pharma Corporation), Hiromu Egashira(Ono Pharmaceutical Co., Ltd.), Atsushi Midorikawa(World Fusion Co., Ltd)|
- 9:30 ~ 10:00 Check in
- 10:00 ~ 12:00 Lecture
- 12:00 ~ 13:00 Break (Lunch will not be provided.)
- 13:00 ~ 16:00 Tutorial
- 16:00 ~ 17:00 TSUBAME3.0 Tour（in GSIC）
REGISTRATION for guraduate and undergraduate students of Tokyo Institute of Technology:
Please send an e-mail to GSIC () with the subject "Entry for MD hand-on workshop", your name, affiliation and e-mail address.
REGISTRATION for general person:
Those who wish to participate, As the subject line of the mail as [CBI Workshop] Complete Name, affiliation, e-mail address and please send an e-mail to " seminar(at)cbi-society.org ((at) » @)".