Search

Categories

Biological and Medicinal Chemistry

(1)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(4)

Keywords

Authors

Darrin M. York

4 results in Authors: Darrin M. 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

1,057

Downloads

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

1,810

Downloads

2

Citations

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

816

Downloads

1

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

357

Downloads