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FIRST PRINCIPLES IN BINDING KINETICS: PREDICTING STRUCTURE-KINETICS RELATIONSHIPS June 6, 2012 (6:00-8:00 pm) Royal Sonesta Hotel Boston, Cambridge, MA <http://www.healthtech.com/sbd> http://www.healthtech.com/sbd Instructors: David Swinney, Ph.D., CEO, Institute for Rare and Neglected Diseases Drug Discovery (iRND3) Xavier Barril, Ph.D., ICREA Research Professor, Physical Chemistry Department, University of Barcelona This dinner course will address the questions on "why should I care about kinetics?" and "how can I understand and predict Structure-Kinetics relationships?" We will first review the role of binding kinetics in drug action and then focus on the particular case of protein-ligand non-covalent complexes, reviewing what is known so far about the structural determinants of binding kinetics. This course will help you with a better understanding and increased awareness of current state of the chemistry and pharmacology of binding kinetics. PUBCHEM MINING - FROM SMALL MOLECULE TO STRUCTURES AND BIOACTIVITY June 7, 2012 (6:30-8:30 pm) Roayl Sonesta Hotel Boston, Cambridge, MA <http://www.healthtech.com/sbd> http://www.healthtech.com/sbd Instructor: Jun (Luke) Huan, Ph.D., Associate Professor, Electrical Engineering and Computer Science Department, University of Kansas A number of universities recently started drug discovery centers. Among the list include Duke, University of North Carolina, Emory, Vanderbilt, Broad Institute, John Hopkins and many others. NIH has maintained its intramural drug discovery programs for a number of years. Recently NIH has started ambitious extramural funding programs to support academic-based drug discovery programs (with an estimated funding of ~$600M). With these new initiatives, huge volumes of data have been collected in an open and collaborative environment and such data are shared with the public free of charge. In this dinner course, the presenter will review the knowledge discovery and management needs in the drug discovery process. One part of the talk will focus on an introduction to PubChem, a public repository for small molecule structures and bioactivity data, where several components facilitating data mining of biological assays test results, including data organization, search of chemicals and analysis for assay development will be covered. On the second part, latest computing and modeling methodology development, primarily those from data mining and machine learning will be overviewed. The primary targeted audience of the tutorial is cheminformatics researchers and practitioners who are interested in developing or applying advanced computing techniques to support knowledge discovery in drug discovery and drug development programs. It may also help drug development and drug post-market safety monitoring. General knowledge of cheminformatics and statistics is assumed. Download a PDF brochure at <http://www.healthtech.com/Conferences_Overview.aspx?ekfrm=111573&libID=1115 28> http://www.healthtech.com/Conferences_Overview.aspx?ekfrm=111573&libID=11152 8 The above dinner short courses are part of CHI's Structure-Based Drug Design conference being held on June 6-8, 2012. Delegates may register for the conference and/or short course(s). Early registration discounts end on March 9. Register at <https://chidb.com/register/2012/sbd/reg.asp> https://chidb.com/register/2012/sbd/reg.asp or call 781-972-5400. To inquire about sponsoring and/or exhibiting, contact Jon Stroup at 781-972-5483, <mailto:[email protected]> [email protected] Please contact me with any questions. James Prudhomme Cambridge Healthtech Institute 250 First Avenue, Suite 300 Needham, MA 02494 <mailto:[email protected]> [email protected] _______________________________________________ BBB mailing list [email protected] http://www.bioinformatics.org/mailman/listinfo/bbb
