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Short Talks

September 30th, 2014, Helen Diller HD 160, UCSF Cancer Center, 1450 3rd St, San Francisco, CA 94158, San Francisco
(The Symposium will be held at a different location - The Mark Hopkins Hotel, 999 California St., San Francisco)
Tuesday, September 30th - 12-5 pm
12:00-12:10 Moderator Andrej Sali University of California, San Francisco, USA
12:10-12:25 QM/MM investigation of substrate-assisted catalysis Hong Guo University of Tennessee
12:25-12:40 An overview of simulations on the plexin and Eph transmembrane receptor systems Matthias Buck Case Western Reserve
12:40-12:55 How insulin binds: from structure of a model hormone-receptor complex to next-generation analog design Michael Weiss Case Western Reserve
12:55-1:10 Substrate-Assisted Glycosylation Reaction Follows a Highly Concerted Pathway that Leads to a Low-Barrier-Hydrogen-Bond Transition State Wei Yang Florida State University
1:10-1:25 Binding mechanism of intrinsically disordered proteins from molecular simulation Robert Best NIDDK, National Institutes of Health
1:25-1:40 On the Question of Atoms and Bonds in Molecules Peter Langhoff UC San Diego
1:40-1:55 Toward understanding the ATP hydrolysis mechanism in ABC-transporters: insights from multiscale simulations Jingzhi Pu Indiana University-Purdue University
1:55-2:10 Ab initio dynamics of proteins by using FMO Yuri Alexeev Argonne National Laboratory
2:10-2:25 Reactions at water surfaces: aerosols, vesicles and bubbles Veronica Vaida University of Colorado, Boulder
2:25-2:55 BREAK
Moderator Matt Jacobson University of California, San Francisco, USA
2:55-3:10 Simulating biomolecular processes at multiple scales Wonmuk Hwang Texas A&M University
3:10-3:25 Multi-scale QM/MM model for the study of catalytic mechanism of protein tyrosine kinase Kwangho Nam Umea University
3:25-3:40 Multiscale Motions in Nucleic Acids Ioan Andricioaei UC Irvine
3:40-3:55 The SCOPe database ( John-Marc Chandonia Berkeley National Lab
3:55-4:10 Uncovering the complex pathway of helix formation Krzysztof Kuczera University of Kansas
4:10-4:25 Protein Electrodynamics and Terahertz Medicine Ogan Gurel Samsung Advanced Institute of Technology
4:25-4:40 Ras GTPase: Effects of oncogenic mutants Carla Mattos Northeastern University