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Theoretical and Computational Chemistry

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Niles Huang

2 results in Authors: Niles Huang

Theoretical and Computational Chemistry

NUPACK: Analysis and Design of Nucleic Acid Structures, Devices, and Systems

Mark E. Fornace, Jining Huang, Cody T. Newman, Nicholas J. Porubsky, Marshall B. Pierce, Niles A. Pierce

Version 1 posted 11 November 2022

3,771

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10

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Theoretical and Computational Chemistry

A Bag of Tricks for Automated De Novo Design of Molecules with the Desired Properties: Application to EGFR Inhibitor Discovery

Maria Korshunova, Niles Huang, Stephen Capuzzi, Dmytro S. Radchenko, Olena Savych, Yuriy S. Moroz, Carrow Wells, Timothy M. Willson, Alexander Tropsha, Olexandr Isayev

Version 1 posted 24 February 2021

1,173

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4

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