COMPTuesday, August 18, 2009

8:00 AM-12:20 PM Walter E. Washington Convention Center -- 146B, Oral
Molecular Visualization
small molecules, BIG IMPACT
Organizer, Presidings:Rommie E Amaro
Emilio Xavier Esposito
8:00 AMIntroductory Remarks
8:05 AMVisualization of cyclic and multibranched molecules with VMD
Simon Cross, John E. Stone, James E. Gain, Michelle M. Kuttel
8:40 AMPoseView: 2D Visualization of protein-ligand complexes
Katrin Stierand, Matthias Rarey
9:15 AMA general interface to quantum chemistry simulations in VMD
Jan Saam, John E. Stone, Axel Kohlmeyer, Klaus Schulten
9:50 AMIntermission
10:00 AMBoltzmann 3D simulations for visualizing molecular motion in the classroom and laboratory
Randall B. Shirts
10:35 AMVisualization of molecular orbitals and the related electron densities
Maciej Haranczyk, Gunther Weber, Maciej S J Gutowski
11:10 AMMolekel: A program for the visualization of quantum chemistry data
Ugo Varetto, Maria G. Giuffreda, Yun Jang
11:45 AMWebMO: Web-based, state-of-the-art, and cost effective computational chemistry
William F. Polik, Jordan R. Schmidt

Molecular Visualization -- Next Session

Symposium Grid -- Division of Computers in Chemistry -- Session Listing

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