[Physstaff] Seminar: Is there Computational Chemistry beyond Drug Discovery?

[Richard Martin]

Is there Computational Chemistry beyond Drug Discovery?

Dr Yuriy A. Abramov, Senior Principal Scientist
Pfizer Worldwide research & Development, Groton, CT USA

Thursday 9th June, 3pm, room 3.14 John Anderson Building

Abstract (abstract and biography included in the attached flyer):

It is impossible to imagine that any of the modern industries at the
beginning of twenty-first century may survive and progress without
application of computational modeling. This observation is reflected in
industries such as aviation and space, chemical, oil/gas, materials, and
pharmaceuticals. In pharmaceutical industry, molecular modeling
applications in Drug Discovery have a 30-year history of great
accomplishments; many of society’s greatest medicines were made
possible, in part, due to computational modeling. However, computational
modeling support of Drug Development has emerged only recently in full
strength. An explanation for this hindrance is the high complexity of
the modeling systems (solid and liquid phases of relatively large and
flexible molecules) coupled with high expectations for accurate
predictions that accompany late-stage drug development. It is fair to
state that in order to overcome these challenges, typical modeling
applications in Drug Development are pushing the boundaries of
fundamental theories and methods initially tested on the simpler
“classical” systems. This presentation will cover current Drug
Development computational chemistry landscape providing real case
examples of modeling applications.

All welcome.

-- 
Dr Richard Martin
High Performance Computing Manager
Faculties of Science and Engineering
Room JA 8.30, John Anderson Building
University of Strathclyde
Tel: 0141 548 3265

The University of Strathclyde is a charitable body,
registered in Scotland, with registration number SC015263


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