"Benchmarking Force Field and the ANI Neural Network Potentials for the ..."

Shae-Lynn J. Lahey, Tu Nguyen Thien Phuc, Christopher N. Rowley (2020)

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DOI: 10.1021/ACS.JCIM.0C00904

access: closed

type: Journal Article

metadata version: 2021-09-01

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  - https://dblp.org/rec/journals/jcisd/LaheyPR20
Shae-Lynn J. Lahey, Tu Nguyen Thien Phuc, Christopher N. Rowley:
Benchmarking Force Field and the ANI Neural Network Potentials for the Torsional Potential Energy Surface of Biaryl Drug Fragments. J. Chem. Inf. Model. 60(12): 6258-6268 (2020)

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