PHYSThursday, August 23, 2007

8:20 AM-11:40 AM BCEC -- 157C, Oral
Structural Determination, Refinement, and Modeling of Large Biomolecular Complexes
Computational Methods
Organizers:Jianpeng Ma
Michael R. Diehl
Shuanghong Huo
Presiding:Ioan Andricioaei
8:20 AMHow much experimental data is needed to predict a protein's structure?
Adrian E Roitberg, Christina R. Crecca
9:00 AMAccelerated molecular dynamics simulations and sampling of transition paths
Yi-Qin Gao, Lijiang Yang, Xuebing Fu
9:40 AMThe conformational change and translocation mechanism of ATP-binding cassette (ABC) transporters
Wenning Wang
10:00 AMIntermission
10:20 AMCryo-EM data fitting using geometric simulation
Michael F. Thorpe, Craig Jolley, Stephen Wells
11:00 AMMultiresolution protein modeling by combining theory and experiment
Cecilia Clementi

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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007