Quantum Chemical Drug Research

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.

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

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.

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When Polymers Bite Back: A Kinetic Model for Suspension Polymerization

Quantum chemical investigation of free-radical polymerizations

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

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