[BiO BB] Drug Discovery Informatics, eCheminfo Autumn Meeting

Barry Hardy barry.hardy at vtxmail.ch
Thu Jun 26 07:25:15 EDT 2008

Latest Advances in Drug Discovery Informatics

eCheminfo Autumn Community of Practice Meeting

14-17 October 2008

Bryn Mawr College, Bryn Mawr, Philadelphia, USA

Conference Link:
Website: http://echeminfo.com/COMTY_conferences
Blog: http://barryhardy.blogs.com/cheminfostream/
Program (pdf):

Themes: Cheminformatics, Bioinformatics, Medicinal Chemistry, Drug
Discovery Innovation, Structure-based Drug Design, Screening, Docking,
Structural Biology, Predictive Toxicology, Predictive ADME, Chemogenomics

Program Summary
Docking & Scoring, chaired by Chaya Duraiswami (GlaxoSmithKline)
Application of MM-PBSA Free Energy Methods in Drug Discovery, chaired by
Judith Lalonde (Bryn Mawr College)
Accurate Calculation of pKas, chaired by Paul Labute (Chemical Computing
In Silico-based Chemogenomics, chaired by Fabrice Moriaud (MEDIT)
PDB Ligands: Analysing their Structure & Binding Data, chaired by Marc
Nicklaus (National Institutes of Health)
Predictive ADME, chaired by Anthony E. Klon (Pharmacopeia Drug Discovery)
Predictive Toxicology, chaired by Artem Cherkasov (University of British

Pre-Conference Workshop, 13 October
Best Practices Virtual Screening Workshop chaired by Barry Hardy
(Douglas Connect)

John Irwin (UCSF), Georgia McGaughey (Merck), Johannes H. Voigt
(Schering Plough), Lance Westerhoff (Quantum Bio), Zsolt Zsoldos
(SimBioSys), Alexey Ornufriev  (Virginia Tech), David Case (Rutgers
University), Rommie Amaro (USCD), Peter Coveney (Univ. College London),
Anna Kohlmann (Ariad Pharmaceuticals), Scott Brown (Abbott), Emil Alexov
(Clemson University), Jens Erik Nielsen (University College Dublin,
Ireland), Matthew Davies (Jenner Institute, UK), Maja Mihajlovic (City
College of New York), Michael Keiser (UCSF), Brian Marsden (University
of Oxford, UK), Alex Tropsha (UNC), John Westbrook (Rutgers), Howard J
Feldman (CCG), Igor V. Filippov (NCI), Raul Cachau (ATP,
SAIC-Frederick), Vincent T. Moy (University of Miami), Paul Hawkins
(OpenEye), Yulia Borodina (NCBI), Gerhard Wolber (Inte:Ligand, Austria),
Marc Nicklaus (NCI), James P. Snyder (Emory), Anne Chaka (NIST), Esther
Kellenberger (Univ. Strasbourg, France), Renxiao Wang (SIOC, Shanghai,
PR China), Jim Dunbar (University of Michigan), Janna Wehrle (NIGMS),
Anton Hopfinger (University of New Mexico), Heidi Einolf (Novartis),
Yojiro Sakiyama (Pfizer), Olga Obrezanova (BioFocus DPI, UK), Anthony E.
Klon (Pharmacopeia), Artem Cherkasov (University of British Columbia,
Canada), Ann Richards (US EPA), Curt Breneman (RPI),
Barry Hardy (Douglas Connect), Weida Tong (FDA)

We invite contributed talks from members of academic, government
research and commercial organizations on areas of new research and
innovation involving drug discovery research informatics. The work
presented should involve innovative new method development or
application to drug discovery problems and involving methods from
computational chemistry, computational biology, cheminformatics or
bioinformatics. Studies including experimental work in medicinal
chemistry, screening, experimental toxicology, pre-clinical evaluation,
lead optimisation and translational medicine are welcome.

Abstracts (300-500 words) should be submitted to echeminfo -[at]-
douglasconnect.com by 31 July 2008, and be accompanied by a short
biography of the presenting author (300-500 words). Abstracts approved
by the scientific organizing committee will be selected for scheduling
on the conference program and in meeting poster sessions. Authors will
be notified of acceptance as soon as a review of submitted materials
takes place and at the latest by 15 August 2008.

Bursary Award
Bursary Awards will be used to support the attendance of a selection of
academic young investigators at the meeting and workshops. Applicants
can be working in any area of research related to drug discovery at the
postdoctoral, graduate student and senior undergraduate levels.

To apply for the bursary please send an email with a) your abstract and
biography (300-500 words each), b) your CV of 1-2 pages, c) a short
description of your interests and career motivations related to drug
discovery (300-500 words) to echeminfo -[at]- douglasconnect.com by 31
July 2008. The recipients of the bursary awards will be selected based
on an evaluation of the quality and innovation of the described research
and the potential positive impact of attendance at the meeting on their
research and career progress. Authors will be notified of acceptance by
15 August 2008.

Poster Session
All InterAction Meeting registrants are eligible to present a Conference
Poster. The Poster Sessions will take place in the evenings in Thomas
Great Hall on campus, where refreshments and dinner are also served.
Poster Abstracts (300-500 words) with Title, Institution, Authors and
Contact Information should be submitted to barry.hardy -[at]-
douglasconnect.com  Abstracts will be considered based on date of
submission and quality, and will be reviewed and accepted as they are
received. To be considered for the formal program, they should be
submitted at the very latest by 31 August 2008.

We gratefully acknowledge the sponsorship support of:

Chemical Computing Group
Merck Research Laboratories

Program: Dr. Barry Hardy, eCheminfo Community of Practice, Douglas
Connect. Tel: +41 61 851 0170. barry.hardy -[at]- douglasconnect.com

Registration Enquiries: Nicki Douglas, Douglas Connect, Baermeggenweg
14, 4314 Zeiningen, Switzerland. Tel: +41 61 851 0461. echeminfo -[at]-
douglasconnect.com or go to:

More information about the BBB mailing list