UCLA ICQC Satellite Symposium QM and MD of Organic and ...
UCLA ICQC Satellite Symposium QM and MD of Organic and ...
UCLA ICQC Satellite Symposium QM and MD of Organic and ...
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8:00-8:30 Marcel Swart (Universitat de Girona, Spain) Chemical Reactivity <strong>of</strong> Endohedral<br />
Fullerenes not needed Cascades<br />
8:30-9:00 Daniel Singleton (TAMU) Recrossing, Entropic Bifurcations, <strong>and</strong> Entropic<br />
Intermediates in Seemingly Concerted Pericyclic Reactions<br />
Friday, June 22 IPAM<br />
8:30 Continental Breakfast<br />
9:00-10:30 a.m. Enzymes <strong>and</strong> Proteins__(Manuel Sparta, Presiding)_______<br />
9:00-9:30 Gerrit Groenh<strong>of</strong> (Max Planck, Germany) Observe While It Happens: Catching<br />
Photoisomerization <strong>and</strong> Excitation Energy Transfer<br />
9:30-10:00 Sharon Hammes-Schiffer (Penn State) Hydrogen Bonding, Electrostatics, <strong>and</strong><br />
Conformational Motions in Enzyme Catalysis<br />
10:00-10:30 Ursula Rothlisberger (EPFL-Lausanne)<br />
10:30 a.m. C<strong>of</strong>fee<br />
11:00 a.m.–12:30 p.m. Computational <strong>Organic</strong> Chemistry (Yong Liang, Presiding)<br />
11:00-11:30 Robert Paton (Oxford, U.K.) Computational <strong>Organic</strong> Structure Elucidation,<br />
Verification, <strong>and</strong> Reactivity<br />
11:30-12:00 Zhixiang Yu (Peking Univ.) A Frontier Molecular Orbital Approach to Explore the<br />
Theoretical Foundations <strong>of</strong> the Mayr Equation<br />
12:00-12:30 Dean Tantillo (UC Davis) Dynamics <strong>of</strong> Terpene-Forming Carbocation<br />
12:30-4:00 p.m. Free Time<br />
4:00-7:00 p.m. Outdoor Barbeque (Dickson Court South)<br />
7:00-9:00 p.m. Metals in Biology ( Gonzalo Jimenez, Presiding)___<br />
7:00-7:30 Ulf Ryde (Lund U, Sweden) Comparison <strong>of</strong> Reaction Mechanisms <strong>of</strong> Mononuclear<br />
Mo Enzymes<br />
7:30-8:00 Anastassia Alex<strong>and</strong>rova (<strong>UCLA</strong>) Insight into Metalloenzyme Evolution Through<br />
Fast Multi-Scale Dynamics<br />
8:00-8:30 Kennie Merz (Florida) The End <strong>of</strong> End-Point Methods?<br />
8:30-9:00 Hrant Hratchian (Gaussian Inc.) Exploring the Dynamics <strong>of</strong> Transition Metal<br />
Catalyzed Reactions Using Reaction Pathways<br />
Saturday, June 23 IPAM<br />
8:30 Continental Breakfast<br />
9:00-10:30 a.m. Enzymes <strong>and</strong> Proteins_(Nihan Celebi Olcum, Presiding)___<br />
9:00 Alexei Stuchebrukhov (UC Davis)<br />
9:30-10:00 Yundong Wu (Peking Univ.)<br />
10:00-10:30 Michael Bartberger (Amgen Inc.) Structure-Based Design <strong>of</strong> Novel Inhibitors <strong>of</strong> the<br />
<strong>MD</strong>M2-p53 Interaction<br />
10:30 a.m. C<strong>of</strong>fee<br />
11:00 a.m.–1:00 p.m. Computational <strong>Organic</strong> Chemistry_(Arne Dieckmann, Presiding)
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