2016 Workshop on Kinetics and Markov State Models in Drug Design

The 2016 Workshop on Kinetics and Markov State Models in Drug Design
Dates: May 19th-20th, 2016
Venue: Novartis Institutes for Biomedical Research, 220 Massachusetts Ave. Room 132, Cambridge, MA

Made possible by generous sponsorship from Novartis Institutes for Biomedical Research and Burroughs Wellcome Fund.

This workshop will be preceded by the 2016 Workshop on Free Energy Methods in Drug Design: Targeting Cancer, at Vertex.
Dates: May 16th-18th, 2016
Venue: Auditorium of Building 1, Vertex Pharmaceuticals Headquarters, 50 Northern Avenue, Boston, MA 02210

Registration form for both workshops: [1]

Introduction

This event focuses on the study of the kinetics of biomolecular processes at the atomistic and systems scales, via in-silico approaches such as Markov State Models and other suitable techniques.

Organizers

• John Chodera, Memorial-Sloan Kettering Cancer Center (john.chodera@choderalab.org)
• Greg Bowman, Washington University (bowman@biochem.wustl.edu)
• Camilo Velez-Vega, Entasis Therapeutics (camilo.velez@entasistx.com)
• Gianni De Fabritiis, Universitat Pompeu Fabra (gianni.defabritiis@upf.edu)
• Vijay Pande, Stanford University (pande@stanford.edu)
• Rommie Amaro, University of California, San Diego (ramaro@ucsd.edu)
• Benoît Roux, University of Chicago (roux@uchicago.edu)
• Frank Noé, Freie Universität Berlin (frank.noe@fu-berlin.de)

Workshop Format

There will be 20-21 thirty-minute talks spaced over two days, with ample time to deliberate and network. Experts will discuss topics such as the use of MSM in the study of binding kinetics, allostery and conformational transitions at the molecular level, the implementation of stochastic algorithms to investigate the kinetics of non-equilibrium bioprocesses at the systems level, and the role of these approaches towards improving the accuracy and efficiency of drug discovery.

Participants are welcome to suggest topics related to the field, to be addressed during the discussion sessions.

Schedule

The following speakers (ordered alphabetically) will be divided into four sessions, two sessions per day. The detailed schedule will be posted soon.

• Greg Bowman (Washington University in St. Louis)
• Vio Buchete (University College Dublin)
• John D. Chodera (Memorial Sloan Kettering Cancer Center)
• Cecilia Clementi (Rice University)
• Robert Copeland (Epizyme)
• Mihir Date (AstraZeneca)
• Gianni De Fabritiis (University Pompeu Fabra, pending confirmation)
• Michael Hagan (Brandeis University)
• Xuhui Huang (Hong Kong University Science and Technology)
• Bettina Keller (Freie Universitat Berlin)
• Drew MacCannell (Pfizer)
• Robert Malmstrom (University of California San Diego)
• Christian Mazza (University of Fribourg)
• Antonia Mey (University of Edinburgh)
• Frank Noé (Freie Universitat Berlin)
• Vijay Pande (Stanford University)
• Robert Pearlstein (Novartis)
• Edina Rosta (King’s College)
• Benoît Roux (University of Chicago)
• Clay Thompson (Pfizer)
• Vincent Voelz (Temple University)

Travel and Lodging

Discount rates may be available for some hotels in the area. Attendants can individually ask for the “Novartis discount rate” at the following hotels (mentioning their attendance to a workshop at Novartis):

Cambridge Marriott (Two Cambridge Center, Cambridge MA), Le Meridian (Sidney Street, Cambridge MA), Hyatt Regency (Memorial Drive, Cambridge MA), Eliot Hotel (Commonwealth Ave, Boston MA)