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1st French-Russian Workshop on Chemoinformatics

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Program of 11 May
11 May 2010Department of Chemistry, Moscow State University
09:15-09:30 Nikolay ZEFIROV Head of the Division of Organic Chemistry, MSU Introductory Remarks
09:30-10:00 Vladimir PALYULIN Moscow State University Molecular Modelling of Neuroreceptors and QSAR Studies of Their Ligands
10:00-10:30 Alexandre VARNEK University of Strasbourg ISIDA Platform For Virtual Screening Based on Fragment and Pharmacophoric Descriptors
10:30-10:50 Oleg RAEVSKY Institute of Physiologically Active Compounds Classification and Regression Models of Rodent Acute Toxicity
10:50-11:10 Coffee-break
11:10-11:40 Jason THEODOSIOU Aureus Pharma, France Ligand Based Virtual Screening Using Aureus’ Knowledge Platform
11:40-11:55 Dmitry OSOLODKIN Moscow State University Virtual Screening Workflow for GSK3b Inhibitors
11:55-12:15 Gilles MARCOU University of Strasbourg Exploring Linearly Separable Problems in Chemoinformatics
12:15-12:35 Eugene RADCHENKO Moscow State University Antiesterase Selectivity of Organophosphorus Compounds: an MFTA Study
12:35-13:00 Peter FEDICHEV Quantum Pharmaceuticals, Russia "Quantum" Approach to Computational Drug Discovery
13:00-14:00 Lunch
14:00-16:00 Visit the laboratories of the Department of Chemistry, MSU
16:00–19:00 Cultural program
Program of 12 May
12 May 2010Institute of Biomedical Chemistry of Russ. Acad. Med. Sci.
09:15-09:30 Vladimir POROIKOV Head of the Department for Bioinformatics, Institute of Biomedical Chemistry Introductory Remarks
09:30-10:00 Anne-Claude CAMPROUX, Christelle REYNÈS University Paris-7 Rationalizing the Chemical Space of Protein-Protein Interaction Inhibitors Using Statistical Approaches
10:00-10:30 Dmitry FILIMONOV Institute of Biomedical Chemistry Local Correspondence Concept in Bio- And Chemoinformatics
10:30-10:50 Dragos HORVATH University of Strasbourg Neighborhood Behavior Approach: Global and Local Similarity Principle and Consequences for Virtual Screening
10:50-11:10 Coffee-break
11:10-11:30 Andrey LISITSA, Ekaterina ILGISONIS Institute of Biomedical Chemistry Personal Reference Dashboard as a Tool for Chemoinformatics
11:30-11:50 Vitaly SOLOV’EV Institute of Physical Chemistry CoMet Project: Prediction of Stability Constants of Metal-Ligand Complexes in Solutions
11:50-12:05 Alexey LAGUNIN Institute of Biomedical Chemistry Computer-Aided Analysis of Biological Activity Spectra for Phytoconstituents
12:05-12:20 Daria TSAREVA Moscow State University Atomic Charges in 3D QSAR: Comparison of Different Calculation Schemes
12:20-12:35 Alexey ZAKHAROV Institute of Biomedical Chemistry QSAR Modelling of Rodent Acute Toxicity
12:35-13:00 Ghermes CHILOV MolTech, Russia Lead Finder Software for Ligand Docking and Virtual Screening
13:00-14:00 Lunch
14:00-16:00 Visit the laboratories of the Institute of Biomedical Chemistry
16:00–19:00 Cultural program