|CCL 06.07.03 Current challenges in computational structural biology: improving model refinement for functional predictions|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Tue May 30 06:08:34 2006
Subject: 06.07.03 Current challenges in computational structural biology: improving model refinement for functional predictions
Thanks to its ability to generate usable models, computational chemistry has branched into many different biological applications. Nevertheless, the uncertainty associated with all molecular models is high. New refinement methods are clearly needed to upgrade these models to reliable predictions, which could be used with confidence both by experimentalist and further computational studies. The goal of the workshop is to share new views about computational refinement and theoretical approaches that will enable us to improve current low-resolution models and make better use of experimental structures. Some of the issues that we will focus on are the treatment of solvent and conformational flexibility in docking and functional studies. Confirmed speakers: Ruben Abagyan (The Scripps Research Institute, CA) Roland Dunbrack (Fox Chase Cancer Center, PA) Modesto Orozco (IRB-PCB, Barcelona) Angel Ortiz (CBM-CSIC, Madrid) Jos Manuel Snchez-Ruiz (Universidad de Granada) Javier Sancho (University of Zaragoza) Jeremy Smith (University of Heidelbert, Germany) Max Totrov (Molsoft, CA) Anna Tramontano (University of Rome "La Sapienza", Italy) Alfonso Valencia (CNIO, Madrid) Scientific Park Barcelona, Spain. 3-5 July 2007 Further information: http://mmb.pcb.ub.es/MODREF2006/NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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