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Biological and Medicinal Chemistry

(2)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(3)

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Over 3 years

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ANI

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3 results in Keywords: ANI

Theoretical and Computational Chemistry

Simulating Protein-Ligand Binding with Neural Network Potentials

Shae-Lynn Lahey, Christopher Rowley

Version 1 posted 29 November 2019

780

Downloads

Biological and Medicinal Chemistry

Profiling Molecular Simulations of SARS-CoV-2 Main Protease (Mpro) Binding to Repurposed Drugs Using Neural Network Force Fields

Version 3 posted 29 July 2020

1,264

Downloads

1

Citations

Theoretical and Computational Chemistry

Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens

Christian Devereux, Justin Smith, Kate Davis, Kipton Barros, Roman Zubatyuk, Olexandr Isayev, Adrian Roitberg

Version 1 posted 07 February 2020

3,116

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2

Citations