COMPTuesday, August 18, 2009

1:00 PM-4:20 PM Walter E. Washington Convention Center -- 146C, Oral
Simulation of (Bio)Organic-Inorganic Interfaces and Nanostructures Using MD, MC, and Multiscale Approaches
Biological Assembly
Organizer, Presiding:Hendrik Heinz
1:00 PMIntroductory Remarks
1:05 PMBiological-nanomaterial interactions
Rajesh R. Naik
1:40 PMControlling crystal growth using organic molecules, biomolecules, and arrays
John H Harding, Colin L Freeman, David Quigley, P. M. Rodger
2:15 PMGeneralized-ensemble simulations of bionanostructures
Yuko Okamoto
2:50 PMIntermission
3:05 PMMultiscale modeling of bioinorganic interfaces
James A. Elliott, Dmytro Antypov, Yue Han, David J. Cooke
3:40 PMNature of molecular interactions of peptides with gold, palladium, and Pd-Au bimetal surfaces in aqueous solution
Hendrik Heinz, B. L. Farmer, Ras B. Pandey, Joseph Slocik, Soumya S. Patnaik, Ruth Pachter, Rajesh R. Naik
4:00 PMTheoretical insights into the interaction mechanism between protein and SWCNT
Yixuan Wang, Hongqi Ai

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The 238th ACS National Meeting, Washington, DC, August 16-20, 2009