Call for papers: Symposium on “Tautomers and biology,” American Chemical Society National Meeting, Boston, MA, USA, August 2010
Yvonne C. Martin, Editor-in-Chief, Perspectives in Drug Discovery and Design Terry R. Stouch, Senior-Editor-in-Chief, Journal of Computer-Assisted Molecular Design,
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Tautomerism is possible for approximately one quarter of
biologically interesting small molecules such as
xenobiotics, enzyme substrates or cofactors, and biological
mediators. Tautomerism complicates investigations into
enzyme mechanisms and structure-activity relationships
as well as such simple calculations as pKa, octanolwater
log P, and molecular similarity. The objective of this
symposium is to showcase the many facets of
tautomerism. Examples of appropriate submissions would be
observations of the form of a tautomeric molecule bound
to a macromolecule, measurements and calculations of
tautomeric equilibrium constants in water and
nonaqueous solvents, strategies to enumerate tautomers for
applications such as molecular docking and
pharmacophore perception, investigations of enzyme mechanisms
that involve tautomerism, and challenges to data base and
cheminformatic handling of tautomers. Deadline for
submission of abstracts is March 30, 2010 and can be
done at www.acs.org/meetings.
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