COMPMonday, August 17, 2009

8:30 AM-12:30 PM Walter E. Washington Convention Center -- 146C, Oral
The Role of Quantum Chemistry in Chemical Biology and Medicinal Chemistry
Methods Development
Organizer, Presiding:Antonio M. Ferreira
8:30 AMDynamic contributions to enzyme catalysis as illustrated by orotidine monophosphate decarboxylase
Jiali Gao, Alessandro Cenbran
9:15 AMIntegrating electronic-embedding QM/MM approaches with a conductor-like screening model
Jose A. Gascon
10:00 AMIntramolecular hydrogen bonding of ortho-substituted arylamide oligomers: Model compound study
Jhenny Galan, J Brown, Zhiwei Liu, Jayme L. Wildin, Chi Ngong Tang, Vojislava Pophristic
10:45 AMIntermission
11:00 AMQuantum chemistry for protein structure and dynamics
John ZH. Zhang
11:45 AMPost density functional theory approaches for elucidating metalloenzyme function and reactivity
Jorge H. Rodriguez

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