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
On street metered parking is usually limited to two hours.There are public lots around the area. You can check public parking location and rates at http://en.parkopedia.com/parking/cambridge.
If you're coming via public transportation, take the subway red line to Kendall Square.
Twitter hashtag: #drugmsm
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 a number of 30-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
Thursday, May 19, 2016
8:30 AM Breakfast (provided)
8:50 AM Opening Remarks
9:00 AM John Chodera (Memorial Sloan Kettering) / Guillermo Pérez-Hernández (Freie Universität Berlin)
9:35 AM Michael Hagan (Brandeis University)
10:10 AM Cecilia Clementi (Rice University)
10:40 AM Morning break
11:00 AM Ron Levy (Temple University)
11:35 AM Bettina Keller (Freie Universitat Berlin)
12:10 PM Vincent Voelz (Temple University)
12:40 PM Discussion on Session 1
1:00 PM Lunch (provided)
2:00 PM Yilin Meng (University of Chicago)
2:35 PM Edina Rosta (King's College)
3:10 PM Robert Malmstrom (UC San Diego)
3:40 PM Afternoon break
4:00 PM Vijay Pande (Standford University)
4:35 PM Antonia Mey (University of Edinburgh)
5:10 PM Discussion on Session 2
5:30 PM End of workshop day 1
Friday, May 20, 2016
8:30 AM Breakfast (provided)
9:00 AM Frank Noe (Freie Universitat Berlin)
9:35 AM Xuhui Huang (Hong Kong UST)
10:10 AM Mihir Date (Astrazeneca)
10:40 AM Morning break
11:00 AM Greg Bowman (Washington University in St. Louis)
11:35 AM Gianni De Fabritiis (University Pompeu Fabra)
12:10 PM Vio Buchete (University College Dublin)
12:40 PM Discussion on session 3
1:00 PM Lunch (provided)
1:00 PM (optional) YANK tutorial [PDF slides]
2:00 PM Robert Copeland (Epizyme)
2:35 PM Clay Thompson (Pfizer)
3:10 PM Christian Mazza (University of Fribourg)
3:40 PM Afternoon break
4:00 PM Robert Pearlstein (Novartis)
4:35 PM Drew MacCannell (Pfizer)
5:10 PM Discussion on Session 4
5:30 PM Closing event at The Asgard Irish Pub (food and drinks provided)
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)
Conference Participants
Robert Abel
Steven Albanese
Matteo Aldeghi
Armin Avdic
Jarod Benowitz
Greg Bowman
Vio Buchete
Qing Cao
Siqin Cao
Franck Chevalier
John Chodera
Clara Christ
Cecilia Clementi
Robert Copeland
Kara Cutrona
Mihir Date
Gianni De Fabritiis
Callum Dickson
Vicki Feher
Holly Freedman
Andrei Golosov
Michael Hagan
Kamran Haider
David Hall
Sonya Hanson
Kadeem Ho Sang
Viktor Hornak
Yuan Hu
Xuhui Huang
Christopher Ing
Jordi Juárez-Jiménez
Jarek Juraszek
Mitsunori Kato
Bettina Keller
Goran Krilov
Michelle Lamb
Jinbo Lee
Ron Levy
Jacob Litman
Silvia Lovera
Stephen LuCore
Rosa Luirink
Drew MacCannell
Robert Malmstrom
Christian Mazza
Christopher McClendon
Dan McKay
Yilin Meng
Antonia Mey
Julien Michel
David Minh
Trung Hai Nguyen
Frank Noé
Okimasa OKADA
Vijay Pande
Nilkanth Patel
Robert Pearlstein
Guillermo Pérez-Hernández
Ninad Prabhu
Diego Prada-Gracia
Cristian Predescu
davide provasi
SHRIRAM PUROHIT
Sereina Riniker
Andrea Rizzi
Gregory Ross
Edina Rosta
Benoit Roux
Michael Schnieders
Simone Sciabola
Nathaniel Stanley
Chaya Stern
Mohammad Sultan
Xianqiang Sun
Kenichiro Takaba
William Thompson
Clay Thompson
Camilo Velez-Vega
Vince Voelz
Patrick Walters
Rafal Wiewiora
Maxwell Zimmerman