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    DRUG DISCOVERY 2009 - Drug Discovery Design Methods & Applications Virtual screening, structure-based drug design, lead optimisation and predictive ADME/toxicology supporting decision making in drug discovery

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    Website http://echeminfo.colayer.net/comty_hyderabadworkshop08 | Want to Edit it Edit Freely

    Category DRUG DISCOVERY 2009

    Deadline: March 31, 2009 | Date: December 07, 2009

    Venue/Country: Hyderabad, India

    Updated: 2010-06-04 19:32:22 (GMT+9)

    Call For Papers - CFP

    Drug Discovery Design Methods & Applications

    Virtual screening, structure-based drug design, lead optimisation and predictive ADME/toxicology supporting decision making in drug discovery

    a Hands-on eCheminfo Workshop

    Co-organised in Partnership by IIIT Hyderabad , JNU NewDelhi , Seascape Learning, and Douglas Connect

    7-10 December 2009; IIIT Hyderabad, Hyderabad, India

    facilitated by Barry Hardy

    Work through in detail and discuss practical examples, methods and emerging techniques with leading modelling experts!

    Virtual Screening & Docking

    Structure-based Drug Design

    Ligand Optimisation & Library Design

    Structure Search, Similarity and Property Estimation

    Data Mining, Analysis & Visualisation

    Pharmacophore Modelling for Lead Identification

    Fragment-based Drug Design

    Predictive ADME

    QSAR-based Predictive Toxicology

    These workshops are aimed to provide a set of stimulating workshops using latest advanced modelling techniques of relevance to chemists, life scientists and modellers working in drug discovery. Participants should return to their labs with new ideas, best practices and software experiences to maximise productivity in their own drug discovery research activities.

    Workshop groups will study problems with hands-on examples using leading-edge software and discuss complex issues highlighted by examples and case studies presented by instructors.

    Software packages and an IT classroom will be used by instructors and participants to work through drug discovery and optimisation problems. Participants may propose problems and issues to the faculty ahead of the workshop. Participants will also have ample opportunity to discuss their perspectives and criticisms of the methods studied and should take-away key nuggets of understanding from these intensive sessions.

    A Bursary Award will be used to support the attendance of one academic participant at the workshop.

    More Information....

    Workshop Leaders

    Tudor Oprea (University of New Mexico, USA), Chaya Duraiswami (GlaxoSmithKline, USA), Johann Gasteiger (Molecular Networks, Germany), Jeff Wiseman (Locus Pharmaceuticals, USA), Indira Ghosh (JNU, New Delhi, India), Paul Hawkins (OpenEye, USA), Barry Hardy (Douglas Connect, Switzerland), Peter Oledzki (BioSolveIT, Germany), Dhananjay Bhattacharyya (Saha Institute of Nuclear Physics, India), Ismael Zamora (Pompeu Fabra University and Lead Molecular Design, Spain), Madhavi Sastry (Schrodinger, USA), Wojciech Plonka (Fujitsu Group, Japan), Anton Hopfinger (University of New Mexico, USA)

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    Workshop Program

    Sunday December 6

    15.00 Registration Open

    16.00 Drug Discovery Informatics: Overview of Community, Workshop and Research Activities, Barry Hardy, Douglas Connect

    17.00 Poster Session with Refreshments

    Monday December 7

    9.00 Pharmacophore Modelling for Lead Identification, Led by Indira Ghosh (JNU)

    More Information....

    12.30 Lunch

    13.30 Virtual Screening using Ligand-based Methods, Led by Paul Hawkins (OpenEye)

    More Information....

    17.00 ¨C 19.00 Open Session on Workshop Case Study and Class Problems

    Tuesday December 8

    8.30 Quantitative In Silico Fragment-Based Drug Design, Led by Jeff Wiseman (Locus Pharmaceuticals)

    More Information....

    9.30 Fragment-based Screening using Scaffold Replacement, Led by Peter Oledzki (BioSolveIT)

    More Information....

    12.30 Lunch

    13.30 Molecular Simulation of Protein-Ligand Complexes, Led by Dhananjay Bhattacharyya (Saha Institute of Nuclear Physics)

    More Information....

    17.00 ¨C 19.00 Open Session on Workshop Case Study and Class Problems

    Wednesday December 9

    9.00 Core Hopping and Combinatorial Docking for Designing and Screening a Focused Library, Led by Madhavi Sastry (Schrodinger)

    More Information....

    12.30 Lunch

    13.30 Library Design incorporating ADME prediction and Metabolic Properties, Led by Ismael Zamora (Pompeu Fabra University and Lead Molecular Design)

    More Information....

    17.00 ¨C 19.00 Open Session on Workshop Case Study and Class Problems

    Thursday December 10

    9.00 Application of QSAR-based Predictive ADME/Toxicology Methods to Workshop Libraries, Led by Wojciech Plonka (Fujitsu Group)

    More Information....

    12.30 Lunch

    13.30 From Finding Active Compounds to Designing their Synthesis, Led by Johann Gasteiger (Molecular Networks)

    More Information....

    17.00 ¨C 18.00 Open Session on Workshop Case Study and Class Problems

    18.00 ¨C 19.00 Discussion of Workshop Case Study and Class Problem Results

    Friday, Saturday December 11-12

    INTERNATIONAL SYMPOSIUM ON DRUG DISCOVERY INFORMATICS

    More Informationp/>For further information and questions on the Workshop program, please contact Dr. Barry Hardy at: barry.hardy -[at]- douglasconnect.com, Tel: +41 61 851 0170. For international registrations, please contact Nicki Douglas, nicki.douglas ¨C[at]- douglasconnect.com, Tel: +41 61 851 0461

    If you are located in India, please contact Sunil Chawla at: sunil -[at] -seascapelearning.com, Tel: +91 981 0305 923 or Om Prakash at Tel: +91 971 7040 656 to complete your registration and payment in Rs. For more information, please visit http://seascapelearning.com/echeminfo_reg.html


    Keywords: Accepted papers list. Acceptance Rate. EI Compendex. Engineering Index. ISTP index. ISI index. Impact Factor.
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