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Summary: Session 2
Prof. William L. Jorgensen
Yale University, USA
Efficient Drug Lead Optimization Guided by Free-energy
Calculations
9:45-10:30
Opening Remarks: Prof. Yitzhak Apeloig
Session 1
9:30-9:45
Prof. Sason Shaik
Hebrew University of Jerusalem, Israel
Two-state Reactivity All The Way: From Iron-oxo Diatomic
to Enzymes
12:15-13:00
Closing Remarks16:45
Prof. Joachim Sauer
Humboldt-University of Berlin, Germany
Hybrid MP2: DFT Calculations for Binding and Reaction
Steps in Catalysis
14:00-14:45
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