Subject: 00.04.05 MGMS Meeting: Modelling Biomolecular Mechanism

From: Leo Caves <[email-masked]>
Date: Tue, 18 Jan 2000 16:46:09 +0000

I hope this meeting is of interest to CCL'ers.
Please note the calibre of the invited speakers on this important theme.

Best wishes,
Leo Caves

-- 
Leo Caves <mailto:[email-masked]> 
Structural Biology Laboratory, Dept. of Chemistry, University of York 
York, YO10 5DD, UK tel:(+44)1904 434521 fax:(+44)1904 410519
===========================================

http://www.mgms.org/york2000 

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 
Meeting Web Site at http://www.mgms.org/york2000 
Information on the Scientific Programme, Contributions, Registration and Travel
available on the Web site

* Meeting Agenda 
The meeting focuses on the study of biomolecular processes incuding 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.

* Scientific Programme (see http://www.mgms.org/york2000/programme.htm)

-- Sessions Include:

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 "Free energy simulations in the new millennium" 

Peter Kollman, UCSF "Molecular dynamics simulations on protein and nucleic acid systems: Entering the era of structure and free energy"

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 "Computer simulation of the reversible folding of peptides" 

RJP Williams, Univ of Oxford "Coupling between electron and proton energies in
Proteins"

Peter Wolynes, Univ. of Illinois "Pure and Applied Protein Folding Kinetics."

----- http://www.mgms.org/york2000