2012 Workshop on Free Energy Methods in Drug Design
2012 Workshop on Free Energy Methods in Drug Design
May 21-23, Cambridge, Massachusetts, USA
Aims
Since their first application decades ago, free energy methods have promised great potential for revolutionizing the process of drug discovery. Recent advances in computational power, new efficient algorithms, and forcefield development efforts suggest that this potential could soon be realized, but there remains a 'last mile' problem in bringing these powerful techniques to the point where they can play a significant role in driving drug discovery in both pharma and academia.
To identify the remaining challenges and help foster a concerted effort to overcome them, we are organizing an intense workshop devoted to bringing together experts from pharma and supporting industries, as well as from academia. The emphasis of this workshop will be on identifying current challenges in the drug discovery process -- specifically those where free energy methods might have the most impact -- and determining the work that must be done as a community to make free energy methods usable for these purposes.
Organizers
- Kim Branson,
- John Chodera, University of California, Berkeley email
- Richard Dixon, Vertex Pharmaceuticals
- 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:
- TBA
Date and Location
May 20-23, 2011
675 Kendall St [info | parking | directions | Google maps] (Kendall Lecture Hall, 3rd floor)
Cambridge, MA
The meeting will take place in the Kendall Lecture Hall in the Vertex space on the third floor of 675 West Kendall.
On entering 675 West Kendall Street, there will be a sign-in table in the main lobby. After signing in and receiving a Visitor Pass, take the elevator to the third floor. There will be a security officer at the elevators on the third floor who will check your Visitor Pass. Proceed to the Kendall Lecture Hall, located inside the Vertex space and to the right.
Passes should be relinquished on leaving Vertex each evening.
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 regret that we are unable to provide funding for travel and lodging, but you may use the Vertex Transient Room Rate at the Royal Sonesta Hotel, Cambridge, MA (yelp | tripadvisor), close to Vertex (Vertex is located at 675 W Kendall St.)
The Royal Sonesta Hotel 40 Edwin Land Boulevard Cambridge, MA 02142 617-806-4200
Please request the VERTEX RATE covering any combination of the nights of May 16 – May 19 inclusive:
STANDARD ROOM: $185 + tax per room per night. DELUXE ROOM (view of the Charles River): $235 + tax per room per night.
May is high season in Boston and Cambridge (tourists, graduations, etc.) so please call and make your reservations as soon as possible.
To make a reservation using the VERTEX RATE:
Call the Royal Sonesta Hotel direct 617-806-4200; or Call the Vertex Travel Dept: 617-44-6225; or Have your travel agency book the VERTEX RATE.
Cancellation policy for The Royal Sonesta Hotel is:
By 6 PM, 24 hours prior to date of arrival.
The hotel is a 7-12 minute walk to the Vertex site. The hotel can provide complimentary shuttle service, so please inquire at GUEST SERVICES for available times to use the 14-passenger van to the meeting.
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
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.