[institut] Predavanje na Hemijskom fakultetu: Dr Paul Correa, 22. maja 2013

[Danica Stojiljkovic]

Postovane kolege i kolegenice,

Sekcija za medicinsku hemiju SHD Vas poziva da u u sredu, 22. maja 2013.
godine dodjete na predavanje koje ce sa pocetkom u 11 casova u sali za
sednice Hemijskog Fakulteta, Beograd (Studentski trg 12-16) Dr Paul
Correa (Procter
& Gamble, Research Fellow, retired). Naziv predavanja je

New Approaches to Building Protein Models and Drug Discovery

Abstract

The construction of models of protein structures before experimental data
is available is an important part of drug discovery and protein
engineering. The key steps are to generate an appropriate sequence
alignment and then convert an existing structural template. Sequence
alignment techniques and sequence threading methods both have their
limitations since so much is dependent on spatial arrangement and side
chain packing. This talk will approach all of these steps in new ways.
Sequence alignment becomes transformed when we look at aligning on
conserved core regions and allow for hypervariability in loop composition
and size. The use of a simplified atomic potential, rotamer/conformer
libraries and genetic algorithms allows for the rapid construction of
complete models for evaluation. The details of these methods will be
discussed. Lastly the development of collaborative tools in informatics to
support genomics, proteomics and drug discovery will be discussed.

Srdacan pozdrav,


Danica Stojiljkovic

--------------------------
E-mail: danica at ipb.ac.rs
Web: http://scl.ipb.ac.rs/

Phone:   +381 11 3713 177
Fax:       +381 11 3162190

Scientific Computing Laboratory
Institute of Physics Belgrade
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