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Protein Structure and Drug Discovery Workshop To be held at Monash University, Mebourne, Australia October 3 rd to 4 th 2006. Molecular Visualization Learn how to: Perform protein/DNA sequence and structure visualization in the ICM environment Build 3D molecular documents and animations
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Protein Structure and Drug DiscoveryWorkshopTo be held at Monash University, Mebourne, Australia October 3rd to 4th 2006 Molecular Visualization Learn how to: Perform protein/DNA sequence and structure visualization in the ICM environment Build 3D molecular documents and animations Perform PDB searching and analysis in ICM Build interactive sequence-structure alignments Superimpose multiple protein structures Analyse ligand-receptor contacts Molecular Modeling and Structure Analysis Learn how to: Calculate electrostatic energy surfaces Build homology models Automate high-throughput molecular modeling Perform loop modeling Set-up Monte-Carlo simulations to fold small peptides Model the structural effect of a mutation on a protein Validate and identify errors in molecular models
Docking and Structure Based Drug Design Learn how to perforn: Ligand Binding Pocket Prediction Small molecule docking Flexible ligand and receptor docking Virtual ligand screening of large databases for drug discovery Post-docking result analysis Protein interface prediction Protein-protein docking Cheminformatics Tools Learn about the ICM chemistry tools. These include: MolCart – chemical database tools Build drug-target specific libraries QSAR ADME-TOX prediction Chemical clustering Chemical similarity searching Pharmacophore searching For more information, please contact: Andrew Orry PhD Senior Scientist, MolSoft LLC, La Jolla, CA, USA andy@molsoft.com 858 625 2000 x108
Molsoft’s Recent Success Stories AstraZeneca Scientists Rank ICMSmall Molecule Docking #1 in Accuracy Chen H, Lyne PD, Giordanetto F, Lovell T, Li J.(2006) On evaluating molecular-docking methods for pose prediction and enrichment factors. J Chem Inf Model. 2006 Jan-Feb;46(1):401-15.
Molsoft’s Recent Success Stories First Place In World-Wide Protein-Protein Docking Competition – 2003, 2005 Mendez R, Leplae R, Lensink MF, Wodak SJ. (2005) Assessment of CAPRI predictions in rounds 3-5 shows progress in docking procedures. Proteins. 2005 Aug 1;60(2):150-69.
