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Darrin M. York, Ph.D.

Affiliations: 
Rutgers University, New Brunswick, New Brunswick, NJ, United States 
Area:
Theoretical Chemistry
Website:
http://theory.rutgers.edu/~york/
Google:
"Darrin York"
Mean distance: 7.81
 
SNBCP

Parents

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Lee G. Pedersen grad student 1993 UNC Chapel Hill
 (Molecular dynamics simulations of HIV-1 protease)
Weitao Yang post-doc 1993-1996 Duke
 (NSF postdoctoral fellow)
Martin Karplus post-doc 1997-1998 Université Louis Pasteur, Strasbourg
 (prior year PD @Harvard U)

Children

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George M. Giambasu grad student
Ming Huang grad student
Adam Moser grad student Loras College
Jinzhe Zeng grad student 2019- Rutgers, New Brunswick
Yang (Jana) Khandogin grad student 2003 UMN
Jana Shen grad student 1999-2003 UMN
Timothy J. Giese grad student 2005 UMN
Brent A. Gregersen grad student 2005 UMN
Evelyn A. Mayaan grad student 2005 UMN
Kevin Range grad student 1999-2005 UMN
George M. Giambasu grad student 2010 UMN
Haoyuan Chen grad student 2011-2016 Rutgers, New Brunswick
Kin-Yiu Wong post-doc 2010-2012 Hong Kong Baptist University
Xiao Li post-doc 2018-2021 Rutgers, New Brunswick
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Publications

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Giese TJ, Ekesan Ş, McCarthy E, et al. (2024) Surface-Accelerated String Method for Locating Minimum Free Energy Paths. Journal of Chemical Theory and Computation
Case DA, Aktulga HM, Belfon K, et al. (2023) AmberTools. Journal of Chemical Information and Modeling. 63: 6183-6191
Zeng J, Zhang D, Lu D, et al. (2023) DeePMD-kit v2: A software package for deep potential models. The Journal of Chemical Physics. 159
Giese TJ, York DM. (2023) Estimation of frequency factors for the calculation of kinetic isotope effects from classical and path integral free energy simulations. The Journal of Chemical Physics. 158
McCarthy E, Ekesan Ş, Giese TJ, et al. (2023) Catalytic mechanism and pH dependence of a methyltransferase ribozyme (MTR1) from computational enzymology. Nucleic Acids Research
Zeng J, Tao Y, Giese TJ, et al. (2023) Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states. The Journal of Chemical Physics. 158: 124110
Xu Y, Harris ME, York DM, et al. (2023) Altered Mechanisms for Acid-Catalyzed RNA Cleavage and Isomerization Reactions Models. Journal of Chemical Theory and Computation
Weissman B, Ekesan Ş, Lin HC, et al. (2023) Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis. Journal of the American Chemical Society
Zeng J, Tao Y, Giese TJ, et al. (2023) QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery. Journal of Chemical Theory and Computation
Tsai HC, Lee TS, Ganguly A, et al. (2023) AMBER Free Energy Tools: A New Framework for the Design of Optimized Alchemical Transformation Pathways. Journal of Chemical Theory and Computation
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