18th International Meeting of the Molecular Graphics and Modelling Society.
Modelling Biomolecular Mechanism: From States to Processes at the Atomic Level
April 5-8, 2000 at the University of York, UK
Further Details & Information
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Information on the Scientific Programme, Contributions, Registration
and Travel available on the Web site
The meeting focuses on the study of biomolecular processes including chemical
reactions, protein folding, transport & diffusion and energy transduction.
The meeting showcases advances in theoretical and computational approaches to
studying biomolecular processes as well as powerful single molecule and
time-resolved experimental techniques. With contributions from
leading international researchers, the meeting provides an important and
timely opportunity to review and stimulate discussion across the many
disciplines addressing the mechanistic aspects of structure-function
relationships in biological processes at the atomic level.
Pathway Methods; Enzyme Reactions; Transport & Diffusion; Folding;
Manipulation; Energy Transfer & Transduction; Solution Dynamics
- Confirmed Invited Speakers and Titles:
HJC Berendsen, Univ. of Groningen "Diffusion-limited enzyme catalysis: Lecithin into phospholipase A2"
Bernie Brooks, NIH (Title TBA)
Charlie Brooks, TSRI "Protein Folding Landscapes, Mechanism and Kinetics: Insights from Theory and Simulation"
Leonor Cruzeiro-Hansson, Herriot-Watt Univ. "Vibrational energy transfer as the first step in protein function"
Ron Elber, Cornell "Long time dynamics of biomolecules using the stochastic path approach"
Stefan Fischer, Univ. of Heidelberg "Molecular kinematics: essential motion and energetics of slow (>1us) processes in proteins."
Hans Frauenfelder, Los Alamos Natl Laboratory "Complexity in protein dynamics and protein reactions."
Hermann Gaub, Univ. of Munich (Title TBA; topic on AFM-related work)
Ian Hillier, Univ. of Manchester "What can QM/MM calculations tell us about enzyme reactions?"
Martin Karplus, Univ. of Strasbourg/Harvard (Title TBA)
Peter Kollman, UCSF (Title TBA - topic on folding)
Andy McCammon, UCSD "Dynamics of Molecular Recognition"
Justin Molloy, Univ. of York "Use of optical techniques to probe the mechanism of energy transduction of single molecular motors"
David Perahia, CNRS Orsay "Study of conformational pathways in proteins: methods and applications"
Simon Phillips, Univ. of Leeds "Towards a movie of catalysis in copper amine oxidases"
Rudolf Rigler, Karolinska Institute "Spectroscopy of Single Biomolecules: The fluctuating enzyme"
Benoit Roux, Univ. of Montreal "Simulating the Flow of Ions across Membrane Channels"
Klaus Schulten, Univ. of Illinois "Steered Molecular Dynamics to Study Biopolymer Association and Stretching"
Lorna Smith, Univ. of Oxford "Characterisation of denatured and partially folded protein conformations"
John Straub, Boston Univ. "Direct computation of long time processes in peptides and proteins"
Michael Schaefer, Univ. of Strasbourg "Structural and thermodynamic characterization of polypeptides by computer simulation: Helices, beta-hairpins, and chameleons."
Wilfred van Gunsteren, ETH Zurich (Title TBA)
RJP Williams, Univ of Oxford "Coupling between electron and proton energies in Proteins"
Peter Wolynes, Univ. of Illinois "Pure and Applied Protein Folding Kinetics."
MGMS Membership Secretary
Computational Chemistry and Informatics Unit
Glaxo Wellcome Medicines Research Centre
Gunnels Wood Rd
Herts SG1 2NY
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