Difference between revisions of "2012 Workshop on Free Energy Methods in Drug Design"
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== Schedule == | == Schedule == | ||
Revision as of 14:18, 14 November 2011
2012 Workshop on Free Energy Methods in Drug Design
May 21-23, Cambridge, Massachusetts, USA
Aims
This workshop focuses on free energy techniques -- the latest innovations and use cases, force field parameterization as it touches these techniques, and sampling practices, among other things. We, the organizers, believe that these techniques are on the verge of being able to make an impact in appropriate drug discovery applications, but a number of challenges remain. This workshop provides a unique opportunity to assess where we are today and what challenges must be tackled next to bring the potential of free energy techniques to bear on real-world applications. We also seek to identify particular problems in drug discovery where these methods can have an impact.
Our goal in this workshop is to bring together experts from pharma and supporting industries, as well as academia, in an intense and focused workshop to identify challenges and help chart the path forward. We are particularly interested in hearing about use cases, pitfalls and their solutions, and so on. We also firmly believe we can learn a great deal from failure, so we hope participants will go beyond just highlighting success stories to provide more detailed insight into successes and failures.
We hope to draw talks on several main themes, including (1) use cases for free energy techniques in real-world problems where they can or have had an impact; (2) how pharma can benefit today or in the immediate future; (3) parameterization and how the latest innovations here affect free energies; and (4) good sampling practices and challenges facing sampling and their impact on free energy estimates. Talks should be focused on addressing these or related aims. As in our previous workshop, 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.
Organizers
- Kim Branson, Discovery Engine email
- John Chodera, University of California, Berkeley email
- Richard Dixon, Vertex Pharmaceuticals email
- David Mobley, University of New Orleans email
- Vijay Pande, Stanford University email
- Michael Shirts, University of Virginia email
Sponsorships
We are hoping to arrange for a sponsor for one or more evening events (such as refreshments + a poster session one evening, and a group dinner another evening); if your organization is interested in sponsoring, please contact David Mobley.
Support
Contact for travel arrangements, lodging, and general questions about Cambridge:
- TBA
Date and Location
May 21-23, 2011
675 Kendall St [info | parking | directions | Google maps] (Kendall Lecture Hall, 3rd floor)
Cambridge, MA
Meeting room details will be announced.
The conference site will have wireless internet access via a guest password.
Fees
There is no registration fee for this workshop.
Workshop Format
There will be a number of talks with ample time for discussion. We hope to draw talks on several main themes, including (1) use cases for free energy techniques in real-world problems where they can or have had an impact; (2) how pharma can benefit today or in the immediate future; (3) parameterization and how the latest innovations here affect free energies; and (4) good sampling practices and challenges facing sampling and their impact on free energy estimates. Talks should be focused on addressing these or related aims. As in our previous workshop, 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. Discussion of failures are encouraged!
Deadlines
- Participants who are interested in speaking should contact us (the organizers) by Dec. 16, 2011.
- Those wishing to attend should contact us as soon as possible (space is limited) but no later than Jan. 17, 2010. Additional spots may become open later.
Lodging and meals
- Coffee, lunch, and beverages will be provided at Vertex.
- We are working to arrange a block of rooms locally at a discounted rate.
- If your organization is interested in sponsoring an evening event, please contact the organizers
Schedule
TBA
Speakers
TBA
Non-speaking attendees
TBA
Restaurants in Boston
Cambridge Restaurants
- Cambridge Brewing Company
- Legal Sea Foods
- Miracle of Science Bar & Grill
- Middle-East Restaurant and Nightclub
- Helmand
- The Similians
- Hungry Mother (yelp)
Directions from Cambridge to Boston
MBTA: Red Line from Kendall to MGH (one stop) takes you to the top of Charles Street, the Liberty Hotel, and the Beacon Hill neighborhood of Boston. In Boston, continuing on the Red Line one additional stop to Park Street is the connection to the Green Line. Inbound one stop on the Green Line is Government Center – a short walk from there to Faneuil Hall. Outbound on the Green Line from Park Street Station will take you to the Back Bay neighborhood – Arlington & Copley Square stations. All of this from Park Street is also very walkable above ground. A quick cab or a 15 minute stroll south of Back Bay (down Clarendon Street is one route) takes you to the South End neighborhood.