|CCL 06.06.05 Modeling Biomolecules, Jackson State University, Jackson, MS|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Wed Feb 1 10:05:51 2006
Subject: 06.06.05 Modeling Biomolecules, Jackson State University, Jackson, MS
Modeling Biomolecules Jackson State University in Jackson, MS June 5-9, 2006 http://chemistry.gsu.edu/CWCS/bio-mod.php Jerzy Leszczynski (Jackson State University), This workshop is aimed to introduce nonexpert college faculty to the contemporary molecular modeling techniques used in biochemistry, molecular biology and related fields. The workshop is divided into the two 1.5 hour lectures in the mornings, and afternoon hands-on sessions in computer laboratory. Lectures will be devoted to introduction of quantum mechanics methodology, theory of intermolecular interactions, molecular mechanics and dynamics with discussion of their applicability range and limitations and presentation of relevant case studies. Laboratory sessions will cover molecular model building aided by the use of structural databases, optimization of biomolecular structures. Particular emphasis will be directed to systematic first principle analysis of approximate methods used in simulation of interactions between biomolecules, rational de novo drug design, modeling chemical reactions involving biomolecules and enzyme catalysis. Possible future computational projects related to research areas of individual participants will be discussed and encouraged. The available open source software tools for molecular modeling will be also reviewed. Day 1: Lecture: Basic concepts of molecular modeling, molecular model building, use of structural databases (CSD, PDB, NDB) Laboratory: building and modifying molecular structures, structure analysis. Day 2: Lectures: Basic concepts of quantum mechanics and overview of standard computational methods of quantum chemistry Laboratory: structure optimization, calculation of molecular properties. Day 3: Lectures : Elements of the theory of intermolecular interactions used in molecular modeling, docking, rational de novo drug design; Laboratory: structure of molecular complexes, analysis of intermolecular interactions, docking. Day 4: Lectures: Molecular mechanics and dynamics, force fields, conformational analysis Laboratory: structure optimization of biomacromolecules, simulated annealing, conformational analysis, homology modeling. Day 5: Lectures: Modeling of chemical reactions and enzyme catalysis. Overview of new emerging molecular modeling techniques, commercial and open source molecular modeling software.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
All @ signs were changed to (~) to fight spam. Before you send e-mail, you need to change (~) to @
For example: change joe(~)big123comp.com to email@example.com
Please let colleagues know about conference listingts at Computational Chemistry List Conference Page at http://www.ccl.net/chemistry/a/conferences/.
Please help: If you find this conference list useful but you noticed some conference missing, please consider including it here by using the Conference Submission Page. It is free but your support is welcome. You will help others!!!
|Modified: Wed Feb 1 15:05:51 2006 GMT|
|Page accessed 4771 times since Wed Feb 1 15:05:52 2006 GMT|
Please help maintain CCL: If you found that your conference is listed here, please consider supporting CCL as a Supporting Member or use other Paid Services of CCL to ensure the continuation of this useful service. We cannot do it without your help.