Meeting
Program and Speaker Schedule
University
of California San Francisco / Biophysical
Society
Symposium Honoring
Peter
A. Kollman
"Molecular
Simulations in Structural Biology and Drug Discovery"
UCSF
Laurel Heights Conference Center
3333
California Street
San
Francisco, CA 94118
February
21-22, 2002
link here
to
list of SPEAKERS and CHAIRS
link
here to list of MEETING SPONSORS
Thursday
February 21, 2002
7:30 - 8:45 Registration
and Continental Breakfast
8:45 - 9:00 Welcome
to the Meeting: K. Dill for
the Organizing Chairs; and M.
A. Koda-Kimble
Dean, School of Pharmacy
Session A: Binding
Recognition and Enzyme Mechanisms
Chaired by S.
Rao
9:00 J.A.
McCammon "Dynamics of Molecular Recognition"
9:30 J.
Gao "Dynamics, Pathways, and Tunneling in Biological Processes"
10:00 K.N.
Houk "Theoretical Explorations of Decarboxylations by Antibodies
and Enzymes"
10:30 - 11:00 Break
Session B: Drug Discovery
Chaired by W.
Cornell
11:00 T.R.
Stouch "Computation and Simulation in Pharmaceutical Research"
11:30 M.
Levitt "Protein Folding: A Paradigm for Solving Hard Problems
in Biology"
12:00 D.
Spellmeyer "Multipole Coupling Spectroscopy - A Novel Detection
Technology in Drug Discovery"
12:30 - 2:00 Lunch
Session C: Protein Modeling
Chaired by T.
Ferrin
2:00 R.
Elber "Long Time Dynamics of Proteins"
2:30 V.
Pande "Simulating Protein Folding Kinetics in Atomistic Detail
Using World-Wide Distributed Computing"
3:00 R.
Friesner "Computational Methods for Protein Structure Prediction"
3:30 - 4:00 Break
Session D: Simulations and Methods Development
Chaired by J.
Caldwell
4:00 T.
Darden "Towards More Accurate Electrostatics"
4:30 T.
Schlick "The Nucleic Acid Field that Peter Loved"
5:00 D.
Case "Amber and Its Related Force Fields: An Update"
5:30 - 7:00 Poster
Session #1
7:00 - 9:00 Dinner
and Presentation by I.D. Kuntz "Reminiscences:
The Joy of Science!"
Friday
February 22, 2002
7:30 - 8:00 Continental
Breakfast
Session E: Drug Discovery
Chaired by J.-M.
Guenot
8:00 D.
Pearlman "High Throughput Virtual Chemistry"
8:30 F.
Brown "Are We Headed in the Right Direction: A Struggle Between
Accuracy and Speed"
9:00 P.
Grootenhuis "Informative Library Design in Drug Discovery"
9:30 - 10:00 Break
Session F: Nucleic Acids
Chaired by P.
Cieplak
10:00 S.
Harvey "Computational Challenges in Large Protein/Nucleic Acid
Assemblies"
10:30 R.
Lavery "DNA Deformations and DNA Recognition"
11:00 D.
Beveridge "Probabilistic Models of DNA Bending Based on Molecular
Dynamics Simulations: Applications to Structural Genomics"
11:30 - 1:30 Lunch and
Poster
Session #2
Session G: Biomolecular Simulations
Chaired by Y.
Duan
1:30 C.
Simmerling "Refinement of Biomolecular Structure using MD Simulations"
2:00 W.F.
van Gunsteren "Advances in MD Simulations of Biomolecules"
2:30 J.
Pitera "Microscopic Insights from Macromolecular Simulation"
3:00 T.
Cheatham "Insight Into the Structure, Dynamics, Energetics and
Interactions of Nucleic Acids from Biomolecular Simulation"
3:30 - 4:00 Break
Session H: Protein Structures and Dynamics
Chaired by C.
Schiffer
4:00 L.
Banci "Experimental and Simulated Structural and Dynamical Properties
of Metalloproteins"
4:30 V.
Daggett "Molecular Dynamics Studies of Protein Folding/Unfolding
Pathways"
5:00 W.
Jorgensen "Computer Simulations for Drug Lead Optimization"
5:30 - 5:45 Concluding
Remarks
Link here to List
of Speakers and Chairs
Link here to
List
of Meeting Sponsors
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