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Workshop I: Design of Drugs and Chemicals that Influence Biology
April 4 - 8, 2011
Organizing Committee |
Scientific Overview
Application/Registration |
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Organizing Committee
David Baker
(University of Washington)
Cecilia Clementi
(Rice University, Physics)
Kendall Houk
(University of California, Los Angeles (UCLA))
William Jorgensen
(Yale University)
Ursula Roethlisberger
(École Polytechnique Fédérale de Lausanne (EPFL))
Jeffery Saven
(University of Pennsylvania, Department of Chemistry)
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Scientific Overview
Biological space can be thought of as the unabridged complement of gene
products. Since it is defined by an organism's genome it is large, but
finite. By contrast, the combinatorial manifold of molecular compounds
means that chemical compound space (CCS) is essentially boundless.
Molecular biology and modern genomics offer unforeseen opportunities to
explore CCS for the purposes of drug discovery, and for chemical influences
on signaling and metabolic pathways. Methods of computational sciences,
such as atomistic molecular dynamics and Monte Carlo schemes, frequently
also combined with coarse-grained, continuous or quantum chemical models,
have evolved to become powerful tools for tackling biomolecular problems
that concern rational drug design, chemical genetics, design of enzyme
catalysts, bio-inspired ligand design in organo- and bio-inorganic metal
complexes, and control of protein folding. This workshop will bring together
experts from all these fields.
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Confirmed Speakers
Dimitris Agrafiotis
(Johnson & Johnson Pharmaceutical Research & Development, LLC)
Charles Brooks
(University of Michigan)
Cecilia Clementi
(Rice University)
William DeGrado
(University of Pennsylvania)
Elisa Fadda
(National University of Ireland, Galway)
Rich Friesner
(Columbia University)
Jiali Gao
(University of Minnesota, Twin Cities)
Robert Glen
(University of Cambridge)
Kendall Houk
(University of California, Los Angeles (UCLA))
William Jorgensen
(Yale University)
Amy Keating
(Massachusetts Institute of Technology)
Brian Kuhlman
(University of North Carolina)
Luhua Lai
(Beijing (Peking) University)
Parag Mallick
(Stanford University)
Gagerin Papoian
(University of Maryland)
Michele Parrinello
(University of Lugano)
Carol Post
(Purdue University)
Maria Ramos
(University of Porto)
Robert Rizzo
(SUNY Stony Brook)
Ursula Roethlisberger
(École Polytechnique Fédérale de Lausanne (EPFL))
Andrej Sali
(University of California, San Francisco (UCSF))
Jeffery Saven
(University of Pennsylvania)
Alexandre Tkatchenko
(Fritz-Haber-Institut der Max-Planck-Gesellschaft)
Shaomeng Wang
(University of Michigan)
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Contact Us:
Institute for Pure and Applied Mathematics (IPAM)
Attn: CCSWS1
460 Portola Plaza
Los Angeles CA 90095-7121
Phone: 310 825-4755
Fax: 310 825-4756
Email: ipam@ucla.edu
Website:
http://www.ipam.ucla.edu/programs/ccsws1/
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