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Publications in VIVO

Shirts, Michael R Associate Professor


Research Areas research areas


research overview

  • Dr. Shirts's group designs and characterizes new materials at the nanoscale through the use of theory and computation. The group's focus include drug design through prediction of physical properties and binding affinities and the design of novel biomimetic materials. Dr. Shirts is especially interested in the development of computational tools that can fundamentally change molecular design by making searches through chemical and configurations space much more predictive, reliable and efficient.


  • Molecular simulation, biophysics, organic crystals, molecular details of transport, thermodynamics, statistical mechanics, drug design, software development


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International Activities

global connections related to teaching and scholarly work (in recent years)

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