Subject: Complex systems science and drug discovery at Pacifichem 2005

From: Dave Winkler <dave.winkler~at~csiro.au>
Date: Tue, 12 Apr 2005 11:21:28 +1000

Pacifichem 2005
Honolulu, Hawaii
December 15-20 2005
http://www.pacifichem.org

Abstract submissions close at COB 13 April US ET

Symposium on Complexity and other Computational Methods in Drug Design

This symposium, one of approximately 350 that 
form the Pacifichem congress, explores how 
complex systems science can provide an 
alternative paradigm for understanding chemical 
and biological systems relevant to drug design. 
Papers submitted to date include...

John Finnigan (CSIRO, Australia) Complex Systems, Chemistry and Biology
David Winkler (CSIRO, Australia) Modelling 
Emergent Properties Of Complex Biological And 
Chemical Systems
Dimitris Agrafiotis (J&J, USA) A self-organizing 
principle for modeling proximity data
Gerry Maggiora (Uni of Arizona, USA) Applications 
of rough set theory in drug-discovery research
Bernard Testa (Uni Hospital Centre, Switzerland) 
Computational explorations of the property space 
of biomolecules
Tim Clark (Uni of Erlangen, Germany) Molecular 
surface properties: What are they trying to tell 
us?
Frank Burden (Scimetrics, Australia) The 
Application of Agent Based Modelling to Chemical 
and Biological Problems
Tatsuya Takagi (Osaka Uni, Japan) Development of 
a simple nonparametric regression method
Yuzong Chen (National Uni Singapore) Machine 
Learning Methods in Facilitating the Prediction 
of Drug ADME and Toxicological Properties
Monty Kier (Virginia Commonwealth Uni, USA) A 
theory of ligand passage through hydrodynamic 
chreodes modeled with cellular automata.
Val Gillett (Uni of Sheffield, UK) Application of 
Multiobjective Evolutionary Optimisation 
Techniques to Pharmacophore Identification
Tudor Oprea (Uni New Mexico, USA)	 Rapid 
evaluation of synthetic and molecular complexity 
for lead discovery
Martyn Ford (Portsmouth Uni, UK) Analysis of the 
Molecular Dynamics of Simple and Complex Systems 
for Predictive Biology
John Gasteiger (Uni of Erlangen, Germany) 
Analyzing Biochemical Pathways by Neural Networks 
and Genetic Algorithms
Jean-François Truchon (Merck, Canada) Designing 
good combinatorial libraries: throwing out the 
trash instead of sorting through the trash
Peter Stadler (Leipzig Uni, Germany) Generalized 
Topological Spaces in Evolutionary Theory and 
Combinatorial Chemistry
Nigel Richards (Uni of Florida, USA) 
Structure-based discovery of asparagine 
synthetase inhibitors as agents for the clinical 
treatment of asparaginase-resistant leukemias
Greg Dewey (Keck Inst) Complexity in biology
Hideaki Suzuki Biologically-mimetic computing
Yuan-Ping Pang (Mayo Clinic) Holistic approach to 
small-molecule inhibitors of the zinc 
endopeptidase of botulinum neurotoxin serotype A
Max Dang (Metabasis Therapeutics, USA) Discovery 
of FBPase inhibitors using a rational drug design
Arvydas Tamulis (Vilnius University, Lithuania) 
Quantum Mechanical Modeling of Self-Reproducible 
Living PNA Chip Immersed in the Lipid Bilayer 
Vesicle Controlled by Quantum Computing Logic 
Gates
Mitch Polley (CSIRO, Australia) Virtual Library 
Design of Drug-Like Molecules Using Evolutionary 
Methods and Compound Fitness Functions
Seymour B. Elk (Elk Tech Assoc. USA) Chemical 
simplexes - a function of dimension developing a 
more efficient system of taxonomy and nomenclature
Julianne Halley (Monash Uni, Australia) 
Self-organization as a source of collective 
intelligence
Darryl Jones (Flinders Uni, Australia) Momentum 
Space Descriptors for Quantitative 
Structure-Activity Relationships
Kato, Hiroaki (Toyohashi Uni Technology, Japan) 
Three-dimensional protein structural data mining 
based on the glycine filter reduced representation
Stefano Moro (Uni Padova, Italy)) Integrated 
ligand and receptor-based strategies to discover 
new GPCR ligands: the human A3 adenosine receptor 
as a key study.
Sergey Bachurin (Inst Physiolog Active Compounds, 
Russia) Computational approaches to synthetic 
design, discovery and development of new 
neuroactive glutamate receptor ligands
Hiroshi Chuman (Toyohashi Uni Technology, Japan) 
Connecting Traditional QSAR and Molecular 
Simulations - Structure Based Quantitative 
Structure-Activity Relationship of Papain and 
HIV-1-Protease Inhibitors

--
Cheers,
Dave

Dr. David A. Winkler FRACI CChem CPChem	Email: dave.winkler~at~csiro.au  
CSIRO Centre for Complexity in Drug Design	Voice: 61-3-9545-2477
Senior Principal Research Scientist    		Fax:  61-3-9545-2561
CSIRO Molecular Science		                  or 61-3-9545-2446
Private Bag 10,Clayton South MDC 3169 	http://www.csiro.au
Australia	       				http://www.molsci.csiro.au

Join us at CONNECT2005 
(http://www.pco.com.au/connect2005/) 3-7 July 
2005, the Royal Australian Chemical Institute's 
National Convention, the 11th Asian Chemical 
Congress in Seoul, August 24-26 2005 
(http://www.11acc.org/), and Pacifichem 2005 in 
Honolulu December 15-20 
(http://www.pacifichem.org).

-- 
Cheers,
Dave

Dr. David A. Winkler FRACI CChem CPChem	Email: dave.winkler~at~csiro.au  
CSIRO Centre for Complexity in Drug Design	Voice: 61-3-9545-2477
Senior Principal Research Scientist    		Fax:  61-3-9545-2561
CSIRO Molecular Science		                  or 61-3-9545-2446
Private Bag 10,Clayton South MDC 3169 	http://www.csiro.au
Australia	       				http://www.molsci.csiro.au

Join us at CONNECT2005 
(http://www.pco.com.au/connect2005/) 3-7 July 
2005, the Royal Australian Chemical Institute's 
National Convention, the 11th Asian Chemical 
Congress in Seoul, August 24-26 2005 
(http://www.11acc.org/), and Pacifichem 2005 in 
Honolulu December 15-20 
(http://www.pacifichem.org).