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5 results in Authors: Darrin York

Theoretical and Computational Chemistry

Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost

Tai-Sung Lee, Hsu-Chun Tsai, Abir Ganguly, Timothy J Giese, Darrin M. York

Version 1 posted 08 June 2021

1,097

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Theoretical and Computational Chemistry

Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/molecular Mechanical Simulations of Chemical Reactions in Solution

Jinzhe Zeng, Timothy J Giese, Şölen Ekesan, Darrin M. York

Version 1 posted 26 February 2021

827

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1

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Theoretical and Computational Chemistry

Growth of Polycyclic Aromatic Hydrocarbon and Soot Inception by in silico Simulation

Bo Wang, Jinzhe Zeng, Liqun Cao, Chih-Hao Chin, Darrin York, Tong Zhu, John Zhang

Version 1 posted 04 April 2022

499

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2

Citations

Theoretical and Computational Chemistry

Validation of AMBER/GAFF for Relative Free Energy Calculations

Lin Song, Tai-Sung Lee, Chun Zhu, Darrin M. York, Kenneth M. Merz Jr.

Version 1 posted 04 February 2019

1,823

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2

Citations

Theoretical and Computational Chemistry

Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization

Alejandro Blanco-Gonzalez, William Betancourt, Ryan Snyder, Shi Zhang, Timothy J. Giese, Andreas W. Goetz, Kenneth M. Merz, Jr., Darrin M. York, Hasan Metin Aktulga, Madushanka Manathunga

Version 1 posted 11 September 2024

433

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