2010 Workshop on Free Energy Methods in Drug Design

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2010 Workshop on Free Energy Methods in Drug Design

May 17-19, Cambridge, Boston

Organizers

  • Kim Branson, Vertex Pharmaceuticals email
  • John Chodera, University of California, Berkeley email
  • David Mobley, University of New Orleans email
  • Vijay Pande, Stanford University email
  • Michael Shirts, University of Virginia email

Support

Contact for travel arrangements, lodging, and general questions about Cambridge:

Date and Location

May 17-19, 2010
675 Kendall St
Cambridge, MA

Workshop Format

There will be a number of talks with ample time for discussion. The workshop will be highly focused on (1) identifying the particular opportunities where free energy methods can have an impact on drug discovery, (2) enumerating the challenges remaining before free energy methods can find widespread use in ligand and drug design, and (3) facilitating the organization of 'working groups' to aid in tackling various aspects of these challenges after the meeting has concluded. Talks should be focused on addressing these (or related) aims. For example, participants should feel free to discuss work that highlights problems or limitations, present ideas on how these limitations may be overcome, and discuss new developments that are underway.

Confirmed and tentative speakers

  • Christopher Bayly, Merck-Frosst
  • Kim Branson, Vertex
  • Alexander Bujotzek (Weber group), ZIB
  • David Case, Rutgers
  • John Chodera, UCB
  • Christopher Chipot, Nancy Université/UIUC
  • Matthew Clark, Pharmatrope
  • Richard Dixon, Vertex
  • Fernando Escobedo, Cornell
  • Mikolai Fajer (McCammon group), UCSD
  • Hideaki Fujitani, University of Tokyo
  • Michael Gilson, CARB, U Maryland
  • Bill Jorgensen, Yale
  • Gerhard König (Boresch group), Universität Wien
  • Julian Michel (Joregensen group), Yale
  • David Mobley, UNO
  • Mark Murcko, Vertex
  • Vijay Pande, Stanford
  • Jed Pitera, IBM Almaden Research Center
  • Régis Pomès, Toronto
  • Enrico Purisma
  • Sereina Riniker (van Gunsteren's group), ETH Zurich
  • Benoît Roux, U Chicago
  • Woody Sherman, Schrodinger
  • Michael Shirts, UVa
  • Tom Simonson
  • Yi Wang (from McCammon group), UCSD
  • Jeff Wereszczynski (from McCammon group), UCSD
  • Huafeng Xu, DESRES
  • Marty Ytreberg, U Idaho

Non-speaking attendees

  • Pavel Klimovich (Mobley lab), UNO
  • Derek Lowe, Vertex
  • Gabriel Rocklin (Dill lab), UCSF
  • Pat Walters - Vertex
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