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Computational chemistry at the end of the earth.

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December 02, 2020

Benchmarking Force Field and the ANI Neural Network Potentials for the Torsional Potential Energy Surface of Biaryl Drug Fragments→

December 02, 2020/ Christopher Rowley

Shae-Lynn J. Lahey, Tu Nguyen Thien Phuc, and Christopher N. Rowley, Journal of Chemical Information and Modeling 2020, DOI: 10.1021/acs.jcim.0c00904

December 02, 2020/ Christopher Rowley/ /Source

Christopher Rowley

  • Flexible Fitting of Small Molecules ...
  • An efficient and accurate model for ...
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Rowley Group

Contact

Christopher Rowley
Department of Chemistry
Carleton University
1125 Colonel By Dr
Ottawa, ON K1S 5B6
Canada

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Phone: 613-520-2600, ext. 1647

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