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[Molecular-modelling] Binding Kinetics & PubChem Mining Courses

James Prudhomme via molmodel%40net.bio.net (by jprudhomme from healthtech.com)
Fri Feb 17 10:12:34 EST 2012

*** Please distribute this message about CHI's short courses to your
colleagues. Thank you. ***

June 6, 2012 (6:00-8:00 pm)
Royal Sonesta Hotel Boston, Cambridge, MA
 <http://www.healthtech.com/sbd> http://www.healthtech.com/sbd


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.


June 7, 2012 (6:30-8:30 pm)
Roayl Sonesta Hotel Boston, Cambridge, MA
 <http://www.healthtech.com/sbd> http://www.healthtech.com/sbd


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


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

or call 781-972-5400.

To inquire about sponsoring and/or exhibiting, contact Jon Stroup at
781-972-5483,  <mailto:jstroup from healthtech.com> jstroup from healthtech.com

Please contact me with any questions.  

James Prudhomme
Cambridge Healthtech Institute
250 First Avenue, Suite 300
Needham, MA 02494
 <mailto:jprudhomme from healthtech.com> jprudhomme from healthtech.com

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