[ccp4bb] PDB Ligands Initiative

I enclose below a CFP for the
eCheminfo Community of Practice meeting at Bryn Mawr this October.  For the CCP4 group I would particularly like to
point out the PDB Ligands initiative of Marc Nicklaus (NIH) which requires close collaboration between experimentialists
and modelers.  Background information at:

 

If you cannot attend the upcoming meeting in person we will also support Virtual Presentation/Discussion supporting
the working group development between now and the meeting in October. 

 

Goals summarised by John Westbrook (Rutgers), the chair for the October meeting, for this activity
are:

1.  Improving the geometrical targets in structure refinement
    dictionaries.


2.  Limitations of various methods in predicting specific chemical
   
forms.   This is the "what you put in is what you get out" issue
    for most
macromolecular methods.

3.  Establishing useful measures of reliability/confidence for ligands

    in experimental macromolecular structures.

4.  Progress in creating data sets
containing both structure and
    chemical binding affinity.

 

best regards

Barry Hardy

 

eCheminfo Community of Practice

Douglas Connect GmbH

Switzerland

+41 61 851 0170

barry.hardy -(at)- douglasconnect.com

 

eCheminfo Community of Practice Drug Discovery Meeting
Bryn Mawr College, Philadelphia, 13-16 October 2009


Call For Contributions

We invite contributed papers 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, structural biology, screening, in vitro assay
development,
pre-clinical evaluation, lead optimisation and translational medicine
are welcome.


Abstracts for talks (300-500 words) should be submitted to echeminfo
-[at]- douglasconnect.com by 31 March
2009, 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. Authors will be
notified of
acceptance as soon as a review of submitted materials takes place and at
the latest by 15 April
2009. Abstracts for posters will continue be
accepted for review through 31 August 2009.

The following
sessions are currently planned:

Forum on Collaboration in Drug Discovery & Development
(to be published
in Future Medicinal Chemistry)
chaired by Barry Hardy (Douglas Connect)

Workshop on Drug Binding Affinities

co-moderated by Scott Brown (Abbott Laboratories), Judith Lalonde (Bryn
Mawr College) and Zheng Yang
(GlaxoSmithKline)

Structure-Based Drug Design: The Roles of Conformation, Water and
Hydrogen Bonds

chaired by Alan Cheng (Amgen)

Macromolecular Interactions and Networks
chaired by Emil Alexov (Clemson
University)

Structure-Based Drug Design: Advanced Scoring Methods
chaired by Natasja Brooijmans (Wyeth)


Data Analysis and Visualisation Applications in Chemical Biology
chaired by Brian Marsden (Structural
Genomics Consortium Oxford)

PDB Ligands
chaired by John Westbrook (Rutgers University) and developing the
work
group initiative of Marc Nicklaus (National Institutes of Health)

Predictive Toxicology
co-chaired
by Vladimir Poirikov (Russian Academy of Medical Sciences)
and Richard Judson (US EPA)


Bursary Awards

Bursary Awards will be used to support the attendance of a selection of
academic investigators at the meeting
and workshops. 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 March 2009. 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.


Information on the program will be updated at:

Blog: href="http://barryhardy.blogs.com/cheminfostream/">http://barryhardy.blogs.com/cheminfostream/

Web: class=moz-txt-link-freetext href="http://echeminfo.com/COMTY_conferences">http://echeminfo.com/COMTY_conferences