[Protein-crystallography] Protein Structure and Drug Design
Workshop - MolSoft October 2-3 2008
(by orry.molsoft from gmail.com)
Mon Aug 18 18:18:24 EST 2008
MolSoft ICM Workshop: "Protein Structure and Drug Discovery" October 2nd
to 3rd 2008 La Jolla, CA.
Please see the following invitation to attend MolSoft's
(www.molsoft.com) Protein Structure and Drug Design Workshop on October
2nd to 3rd 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. The workshop
is presented by Prof. Ruben Abagyan (The Scripps Research Institute) and
Dr. Maxim Totrov (MolSoft).
The workshops will consist of lectures, demonstrations, and "hands-on"
computational experiments and will 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 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
- 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 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.
Andrew Orry Ph.D.
3366 North Torrey Pines Court
La Jolla, CA 92037
U S A
Phone: (858) 625-2000 (x108)
Fax: (858) 625-2888
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