COMPThursday, 30 March 2006
8:00 AM-11:55 AM Georgia World Congress Center -- B306, Oral
General Oral - Drug Discovery
Organizer:Wendy D. Cornell
Presiding:S. Frank Yan
8:00 AM332Successful structure-based design of novel protein tyrosine phosphatase inhibitors
Michael J. Bower, Andrew P. Combs, Eddy W. Yue, Paul J. Ala, Brian Wayland, Brent Douty, Amy Takvorian, Padmaja Polam, Zelda Wasserman, Wenyu Zhu, Matthew Crawley, James Pruitt, Richard Sparks, Brian Glass, Dilip Modi, Erin McLaughlin, Lori Bostrom, Mei Li, Laurine Galya, Karl Blom, Milton Hillman, Lucie Gonneville, Brian G. Reid, Min Wei, Mary Becker-Pasha, Ronald Klabe, Reid Huber, Yanlong Li, Gregory Hollis, Timothy C. Burn, Richard Wynn, Phillip Liu, Brian Metcalf
8:25 AM333Hierarchical representation of protein conformation: Application in flexible receptor docking
Yong Zhao, Daniel Stoffler, Michel F. Sanner, Arthur Olson
8:50 AM334Homology modeling: Evaluation of loop modeling protocols
Karen A. Rossi, Carolyn A. Weigelt, Stanley R. Krystek Jr., Akbar Nayeem
9:15 AM335D2Score: A fully automated web server for the dihedral angle based analysis of protein structures
Gungor Ozer, Jonathan Foley IV, Shi Zhong, Rigoberto Hernandez
9:40 AM336Assessment of protein structures at the residue level using an entropic score of dihedral-angle correlation
Shi Zhong, Stephen Quirk, Rigoberto Hernandez
10:05 AM Intermission
10:15 AM337Hinge-bending motion in S-adenosyl-L-homocysteine hydrolase: Mutagenesis, fluorescence and modeling
Krzysztof Kuczera, Ronald T. Borchardt, Richard L. Schowen, Carey K. Johnson, Menmeng Wang, Chen Hu
10:40 AM338Molecular modeling of the C-terminal end of human intestinal mucin (MUC2) predicts a cysteine-knot tertiary structure
Vatsala D. Sadasivan, David E. Budil, Albert Sacco Jr, Rebecca L. Carrier
11:05 AM339Prediction of Human DP Receptor Structure and Binding mode for prostanoid compounds
Youyong Li, Fangqiang Zhu, Nagarajan Vaidehi, William A. Goddard III
11:30 AM340Structural model of CCR5 for the discovery of entry inhibitors for the therapeutic intervention of HIV-1 infection
Debananda Das, Kenji Maeda, Kiyoto Tsuchiya, Hiroaki Mitsuya

General Oral - Drug Discovery -- Next Session

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

Symposium Grid -- Drug Discovery -- Session Listing

The 231st ACS National Meeting, Atlanta, GA, March 26-30, 2006