National Workshop on Computational Chemistry & ChemoinformaticsApproaches in Modern Drug Discovery

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National Workshop on Computational Chemistry & ChemoinformaticsApproaches in Modern Drug Discovery
Venue: IIITM-K, Nila Building, Technopark, trivandrum
Dates:18 - 21 March, 2009
The sessions in the workshop are handled by Dr. K. A. Prince Xavierand Dr. T. K. Manojkumar. Both the faculties finished their Ph. D. inComputational Chemistry and have a good experience in the applicationsof different computational techniques in Computational Biology andDrug Discovery.
TopicsForce field and Molecular MechanicsChemoinformatics : Drug databases : Tools to accelerate hitand lead identificationTarget Identification and ValidationDrugability index of protein targetsPreparation of protein targets for molecular dockingChemogenomics (Chemical genomics) approaches in target identificationProtein ligand dockingProtein homology modelingVirtual library generationIn-silico screening / Docking of ligandsPrediction of binding modesIn-silico ADME/Tox properties predictionEstablishing quantitative structure-activity relationship (QSAR) &structure-property relationship(QSPR)Receptor-based and ligand-based pharmacophore designFragment-based drug designDesign of focused, diverse and thematic chemistry librariesLead optimization & de-novo designCalculation of physico-chemical properties

Biological and physico-chemical predictive model buildingBiosimulationHands on training using molecular modeling, visualization and docking tools
Faculty, students, teachers from educational institutions andprofessionals from industry are welcome to attend the workshop. Thenumber of seats is limited to 40.
Registration fee for people from academics is Rs. 3,500/- and thosefrom industry are Rs. 10,000/-. For PG students, the registration feewill be Rs. 2,500/-. Registration fee can be paid in the form ofDemand Draft in favor of "Director, IIITM-K" payable at anynationalized bank in Trivandrum. For registering for the workshop,participants are requested to send a letter specifying your name,official address along with DD to
Dr. T. K. Manojkumar,Park Center, Indian Institute of Information Technology and Management – Kerala,Technopark Campus, TrivandrumKerala – 695 581E-mail: manojtk@iiitmk.ac.inPhone: 09995482821Office: 0471-2700777
Last Date of Registration: 10th March, 2009