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Quantum Chemical Drug Research

March 7, 2013 By Leave a Comment
A) Retrospective dynamics and projected estimates for the structural coverage of the human proteome and pocketome. B) Main classes of computational drug discovery applications.

Dr. Irina Kufareva and her colleagues from UC San Diego have investigated quantum chemical approaches to computational drug research.

Filed Under: Healthcare research, Research Tagged With: , , ,
PDFLink to the original paper on Wiley Online Library

Twin Polymerization – A Theoretical Study on Combining Chemical Reactivity with Structure Formation

November 1, 2012 By Leave a Comment
Twin Polymerization - From Chemical Reactivity to Structure Formation

A. Auer and co-workers have now shown the application of atomistic calculations to unravel the elementary steps of the novel twin-polymerization reaction.

Filed Under: Polymers Tagged With: , , , ,
PDFLink to the original paper on Wiley Online Library

When Polymers Bite Back: A Kinetic Model for Suspension Polymerization

July 30, 2012 By Leave a Comment
Quantum chemical investigation of free-radical polymerizations

The free-radical polymerization of vinyl chloride is investigated using quantum chemical methods.

Filed Under: Polymers Tagged With: , , , ,
PDFLink to the original paper on Wiley Online Library