Subject: Quantum Biochemistry activities and meetings

From: Barry Hardy <barry.hardy :: tiscalinet.ch>
Date: Fri, 06 May 2005 14:59:23 +0200

Activities of the eCheminfo Quantum Biochemistry interest group are now 
located at http://echeminfo.colayer.net/COMTY_quantum
Upcoming activities include a Web conference (opening May 9), and sessions 
at the eCheminfo Autumn InterAction meetings in Philadelphia, US (October 
11-13) and Basel, Switzerland (November 8-10)

Web-based conference session, May 2005
Applications of Quantum Mechanics in Computational Biochemistry, co-chaired 
by Alessandro Curioni (IBM Zurich) and Lance Westerhoff (QuantumBio)

Invited seminars available for discussion:
Determination of the protonation states of the key aspartates in 
beta-Secretase through QM/MM X-ray structure refinement, Ning Yu 
(Pennsylvania State University)
Computational Studies of Protein-Ligand and Protein-Solvent Interactions, 
Kaushik Raha (UCSF)
Computational Biochemistry, Alessandro Curioni (IBM Zurich)
Quantum Mechanics for Drug Discovery, Lance Westerhoff & Ken Merz (QuantumBio)
Analysing enzyme activity and specificity by QM/MM modelling, Adrian 
Mulholland (University of Bristol)
Simulations of phosphoryl transfer reactions using new hybrid quantum 
mechanical/molecular mechanical methods, Darrin York (University of Minnesota)
Towards quantum mechanical force fields for biomolecules, Richard Bryce 
(University of Manchester)
The application of QM/MM techniques to model enzyme mechanisms and 
protein-ligand interactions, Harald Lanig (Erlangen University)

Note: Presentations will open on the eCheminfo Web site on the 9 May for a 
two week period of review and discussion and a conference call with the 
panel of presenters for Q&A on Monday, 24 May, 12.00 EDT.

eCheminfo InterAction Meeting Session, Philadelphia, 12 October 2005
New Developments in Biophysical Applications of Quantum Mechanics
chaired by Ken Merz and Lance Westerhoff (QuantumBio)
eCheminfo 2005 InterAction Meeting, 11-13 October 2005, Philadelphia, USA
Updates loaded at http://echeminfo.colayer.net/COMTY_program

Other Sessions:
* Virtual Screening, Docking & Scoring, chaired by Max Cummings (Johnson & 
Johnson)
* Web-based Services in Drug Discovery, chaired by Marc Nicklaus (National 
Institutes of Health)
* Protein Folding, Misfolding & Aggregation: Applications to Disease, 
chaired by Nikolay V. Dokholyan (University of North Carolina)
* Simulation of Membranes & Ion Channels, co-chaired by Richard Pastor 
(FDA) and Michael Klein (University of Pennsylvania)

eCheminfo InterAction Meeting Session, Basel, 9 November 2005
Computational Biochemistry
chaired by Alessandro Curioni (IBM Zurich)
eCheminfo 2005 InterAction Meeting, 8-10 November 2005, Basel, Switzerland
Updates loaded at http://echeminfo.colayer.net/COMTY_program

Other Sessions:
* Web-based Services in Drug Discovery, chaired by Kim Henrick (European 
Bioinformatics Institute)
* Fluid Flow in Nanopores, chaired by Nick Quirke (Imperial College London)
* Applications of Machine Learning & Graph Mining in Drug Discovery, 
chaired by Stefan Kramer (Technische Universitaet Muenchen)
* Protein Folding and Dynamics, chaired by Wilfred van Gunsteren (ETH-Zurich)

Posters
All registrants for the above sessions are eligible to submit a Conference 
Poster. Attendees may view and discuss the Posters and leave messages for 
the authors on the Web site. Electronic poster and discussion sessions will 
be scheduled to take place at both the US and European InterAction Meetings.

Poster Abstracts (of ca. 300 words) with Title, Institution, Authors and 
Contact Information should be submitted for consideration to echeminfo at 
douglasconnect.com Conference Posters can be presented as HTML, pdf, 
Powerpoint or Word documents.

Access
Access to all eCheminfo facilities and seminars on the website, either past 
or occurring at any session in 2005, including the Autumn meetings in 
Philadelphia and Basel, requires the completion of an eCheminfo membership 
through the website or by contacting Nicki Douglas 
(nicki.douglas :: douglasconnect.com)

Barry Hardy
eCheminfo Community of Practice Manager

SignUp for program updates, membership or meeting registration on the 
eCheminfo CoP website: http://eCheminfo.com/

eCheminfo Blog: http://barryhardy.blogs.com/cheminfostream/

Barry Hardy, PhD
Douglas Connect, Switzerland
+41 61 851 0170 (office)
www.douglasconnect.com