[Computational-biology] MolSoft ICM Workshop - "Protein Structure
and Drug Discovery" May 1-2 2008
(by andy from molsoft.com)
Fri Mar 21 12:43:07 EST 2008
MolSoft ICM Workshop: "Protein Structure and Drug Discovery"
May 1-2 2008 La Jolla CA.
Please accept this invitation to attend MolSoft's (www.molsoft.com)
Protein Structure and Drug Design Workshop on May 1st to 2nd 2008 in La
Jolla California USA. 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. All workshops
are presented by Prof. Ruben Abagyan (The Scripps Research Institute)
and Dr. Maxim Totrov (MolSoft) and occasional guest speakers.
The workshops will consist of lectures, demonstrations and "hands-on"
computational experiments and cover the following topics:
- 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 ...
- 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 new ligands interactively
- Fully-flexible receptor-ligand docking
- Multiple Receptor Docking
- Automated model building into density
- Atomic property field chemical superposition
- Fast machine learning tools for QSAR
- Pharmacophore drawing and searching
- Compound library enumeration tools
- Screen-grabbing 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 (The Scripps Research Institute 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.
More information about the Comp-bio