COMPTuesday, August 18, 2009

6:00 PM-8:00 PM Walter E. Washington Convention Center -- Ballroom A, Poster
Chemical Computing Group Excellence Award
Organizer:Carlos L. Simmerling
Quantum mechanics-coupled AMBER ff99 compatible heme parameters for the P450 catalytic cycle
Kiumars Shahrokh, Garold S. Yost, Thomas E. Cheatham III
Binary QSAR study for identifying selective LPA3 antagonists
James I. Fells Sr., Abby L Parrill
Drug pressure induced mutations in HIV-1 protease alter flap conformations
Fangyu Ding, Carlos L. Simmerling
Dynamics of 1,3-dipolar cycloadditions of diazonium betaines to acetylene and ethylene: Bending vibrations facilitate reaction
K. N. Houk, Lai Xu, Charles Doubleday
Pair-wise property-encoded shape distribution descriptors applied to prediction of protein-ligand binding affinities
Sourav Das, Mike Krein, Curt M. Breneman

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

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