Kate K. Huddleston 个人学术档案

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Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.在 ufl.edu 的电子邮件经过验证
Justin S SmithNVIDIA在 nvidia.com 的电子邮件经过验证
Olexandr IsayevCarl and Amy Jones Professor of Chemistry, Carnegie Mellon University在 olexandrisayev.com 的电子邮件经过验证
Kipton BarrosLos Alamos National Laboratory在 lanl.gov 的电子邮件经过验证
Roman ZubatyukCarnegie Mellon University在 andrew.cmu.edu 的电子邮件经过验证
Ramón Alain Miranda QuintanaDepartment of Chemistry, University of Florida在 chem.ufl.edu 的电子邮件经过验证
Lexin ChenDepartment of Chemistry, University of Florida在 ufl.edu 的电子邮件经过验证
Christian J Devereuxuniversity of florida在 ufl.edu 的电子邮件经过验证

Kate K. Huddleston

在 ufl.edu 的电子邮件经过验证


标题按引用次数排序按年份排序按标题排序	引用次数引用次数	年份
Extending the applicability of the ANI deep learning molecular potential to sulfur and halogens C Devereux, JS Smith, KK Huddleston, K Barros, R Zubatyuk, O Isayev, ... Journal of Chemical Theory and Computation 16 (7), 4192-4202, 2020	301	2020
ANI-2x Release K Huddleston, R Zubatyuk, J Smith, A Roitberg, O Isayev, I Pickering, ... https://doi.org/10.5281/zenodo.10108942, 2023	2*	2023
ANI Neural Networks Meet Electrostatics: A ML/MM Implementation in Amber JA Semelak, P Ignacio, KK Huddleston, J Olmos, JS Grassano, ...		2024
Efficient clustering of large molecular libraries KL Pérez, V Jung, L Chen, K Huddleston, RA Miranda-Quintana bioRxiv, 2024		2024
Exploring the atom in a molecule through atomic energies and partial charges using the ANAKIN-ME methodology K Huddleston https://ufdc.ufl.edu/UFE0061048/00001/pdf, 2024		2024
COMP6v2 Release K Huddleston, R Zubatyuk, J Smith, A Roitberg, O Isayev, I Pickering, ... https://doi.org/10.5281/zenodo.10126157, 2023		2023
AIM by ANI: The Development of an Atoms-in-Molecules Partition through Machine Learning KK Davis, AE Roitberg, RA Miranda-Quintana

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