COMPTuesday, August 18, 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
Quantum Biology
Organizer, Presiding:Antonio M. Ferreira
8:30 AMHydrogen-catalysis phenomenon as an option in biological fixation of N2: A theoretical view
Rubik Asatryan, Joseph W. Bozzelli
9:15 AMThe role of QM/MM studies in mechanistic analysis of biomolecular motors and ion pumps
Qiang Cui
10:00 AMQuantum mechanical scoring for protein docking
Art E. Cho
10:45 AMIntermission
11:00 AMLarge-scale ab initio calculations of DNA oligomers
Nicholas Labello, Antonio M. Ferreira, Bob M. Moore
11:45 AMQC in Med Chem
Modesto Orozco

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