Latest Advances in Drug Discovery Design & Planning Methods

Virtual screening, structure-based drug design, lead optimisation and predictive toxicology supporting decision making in drug discovery   A 4 Day eCheminfo (Hands-on) Workshop & 2 Day Symposium 7-12 Dec. 2009  International Institute of Informational Technology, Hyderabad, India facilitated by Dr. Barry Hardy supported by Dr. Indira Ghosh, JNU & Dr. Abhijit Mitra, IIIT-H 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 QSAR-based Predictive Toxicology Quantitative Spectrometric Data-Activity Relationship Modelling 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. The two day Symposium will include lectures and round table disussions on emerging research in: Molecular dynamics with pH and temperature effects considered Docking involving proteins, nucleic acids etc. Ab initio studies, QM/MM

Scientific Advisors-International Dr. Johann Gasteiger, CEO Molecular Networks, Germany Dr. Barry Hardy, Douglas Connect, Switzerland Dr. Christoph Helma, inSilico Toxicology, University Freiburg, Germany   Dr. Anton Hopfinger, University of  Chicago, USA Dr. Jeff Wiseman, VP & CTO Locus Pharmaceuticals, USA Dr.  P.Balaram, IISC, India Dr. Tanjore Balganesh, AstraZeneca, India Dr.  D. Balasubramanian,  L. V. Prasad Eye Institute, India Dr. M. K. Bhan, Secretary, DBT, India Dr. Davinder S. Brar, GVK Biosciences, India Dr. Samir Brahmachari, Director General, CSIR, India Dr. B. Gopalakrishnan, TCS, IIITH, India Dr. Gowrishankar, CDFD, India Dr. Seyed Hasnain, VC, HCU, India Dr. Kamalakar Karlapalem, IIITH,India Dr. Abhijit Mitra, IIITH, India Dr. P. J. Narayanan, IIITH, India Dr. Rajendra Prasad, JNU, India Dr. S. Purohit, CDAC, India Dr. T. Ramasami, Secretary, DST, India Dr. Harjinder Singh, IIITH,India Dr. Lalji Singh, CCMB, India Dr. M. Vijayan, IISC, India Dr. J. S. Yadav,  IICT, India Local Advisory Committee Dr. K. Lalitha, UoH Dr. S. Mande, CDFD Dr. Narayanan, TCS, India Dr. C.K. Mitra, UoH Dr. J.A.R.P Sarma, GVK Biosciences Dr. R. Sankaranarayanan, CCMB Dr. Narahari Sastry, IICT Organizing Committee Dr. R. Bagga,  IIITH, India Sunil Chawla, Seascape Learning Dr. Indira Ghosh, JNU, India Dr. B. Gopalakrishnan, TCS, IIITH, India Dr. Barry Hardy, Douglas Connect, Switzerland Dr. Abhijit Mitra, IIITH, India   Location: The Workshop and Symposium will be held at the International Institute of Information Technology, Hyderabad, India. Contact: For further information and questions on Workshop & Symposium, please contact Sunil Chawla Tel: 01-408-368-4833 Or 91-9810305923