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Martin Karplus Celebration Symposium

October 1st, 2014, The Mark Hopkins Hotel, 999 California St., San Francisco
(Short Talks will be held at a different location - Helen Diller HD 160, UCSF Cancer Center, 1450 3rd St, San Francisco, CA 94158, San Francisco)

Wednesday Morning, Oct 1st
7:30 – 8:55am Registration and Breakfast (provided)
8:55 – 9:00am Welcome Andrej Sali University of California, San Francisco, USA
Chair Toshiko Ichiye Georgetown University, Washington D.C., USA
9:00 – 9:25am Molecular Dynamics and Drug Discovery Andy McCammon University of California, San Diego, USA
9:25 – 9:55am Back to the Future: QM/MM Simulation of Exciton Dynamics in Conjugated Molecular Materials Peter Rossky University of Texas, Austin, USA
9:55 – 10:25am Water Dynamics; fluctuation, phase transitions and reactions Iwao Ohmine Institute for Molecular Science, Japan
10:25 – 10:45am Coffee break
Chair Tom Simonson Ecole Polytechnique, Palaiseau, France
10:45 – 11:15am Enzyme catalytic mechanisms from combined quantum mechanics/molecular mechanics (QM/MM) modeling Adrian Mulholland University of Bristol, UK
11:15 – 11:45am Computational approaches to chemomechanical transduction: the myosin molecular motor Marco Cecchini University of Strasbourg, France
11:45 – 12:15pm 35 years of CHARMM Bernard R. Brooks National Institutes of Health, USA
12:15 – 1:40pm Lunch (provided)
Wednesday Afternoon, Oct 1st
Chair Amedeo Caflisch University of Zurich, Switzerland
1:40 – 2:10pm DNA allostery and its sequence dependence YiQin Gao Peking University, China
2:10 – 2:40pm Modeling Intrinsically Disordered Proteins: Application to Amyloid-beta Collin Stultz MIT, USA
2:40 – 3:10pm Targeting "undruggable" proteins using long molecular dynamics simulations Paul Maragakis DE Shaw Research, USA
3:10 – 3:30pm Coffee break
Chair John E Straub Boston University, USA
3:30 – 4:00pm New structural features of kinases as potential targets to alter protein-protein interactions Carol Post Purdue University, USA
4:00 – 4:30pm Systems Biology of Psychiatric Disorders Dennis Vitkup Columbia University, USA
4:30 – 5:00pm Molecular mechanisms of SNARE-mediated membrane fusion, calcium triggering, and recycling Axel Brunger Stanford University, USA
5:00 – 5:15pm Summing up David Chandler University of California, Berkeley, USA
Wednesday Evening, Oct 1st (by invitation only)
Moderator John Kuriyan University of California, Berkeley, USA
6:15 – 7:30pm Reception
7:30 – 10:00pm Dinner
9:10 – 10:00pm Address Greg Petsko Cornell Medical School, USA