[Protein-crystallography] Protein Structure and Drug Discovery
Workshop - October 1st - 2nd 2009
(by andy from molsoft.com)
Thu Aug 13 12:06:04 EST 2009
**MolSoft ICM Workshop: "Protein Structure and Drug Discovery" October
1st to 2nd 2009 La Jolla, CA.**
Please see the following invitation to attend MolSoft's (
www.molsoft.com ) "Protein Structure and Drug Design Workshop" on
October 1st to 2nd 2009 in La Jolla, California USA. Please see
www.molsoft.com/training.html for more information and a registration form.
Our workshops are suitable for chemists and biologists who would like to
learn more about computational drug discovery and bioinformatics. No
prior knowledge in this field is required to participate. The workshop
is presented by Prof. Ruben Abagyan (University of California San Diego)
and Dr. Maxim Totrov (MolSoft).
Price: $360 (before September 1st) $400 (after September 1st)
The workshops will consist of lectures, demonstrations, and "hands-on"
computational experiments and will cover the following topics:
- Molecular Graphics and Displaying Interactive Molecules in PowerPoint
and the Web see: http://www.molsoft.com/activeicm.html .
- Sequence and Protein Structure Analysis.
- Protein Modeling and Simulations.
- Structure Validation and Optimization.
- Ligand Binding Site Prediction.
- Small Molecule Docking and Virtual Ligand Screening.
- Structure-based development of target-specific compound libraries
- Cheminformatics, Chemical Clustering, Searching, Superposition etc...
- QSAR, Machine Learning
- Protein-Protein Docking
We will demonstrate and train you in the use of many of our new
developments in computational chemistry and biology including:
- 3D Ligand Editor - design and optimize ligands interactively see
- Markush Library Docking
- Multiple Receptor Docking (A method to incorporate receptor flexibility)
- Automated model building into electron density
- Atomic property field chemical superposition
- Fast machine learning tools for QSAR
- Pharmacophore drawing and searching
- Compound library enumeration tools
- Screen-grabbing molecular movie making
"The objective of this training workshop is to help chemists and
biologists solve challenging problems in the area of drug discovery by
efficient use of the science and technology present in ICM molecular
modeling tools." Prof. Ruben Abagyan (University of California San Diego
and Co-Founder of Molsoft LLC)
Please see our website at www.molsoft.com for more details or E mail
andy from molsoft.com or call (858) 625 2000 ext.108.
Please join the ICM Discussion Forum:
MolSoft is a La Jolla based company that is a primary source of new
breakthrough technologies in computational chemistry and biology.
Molsoft is committed to solving intellectually challenging problems in
drug discovery and computational biology.
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