☰ Chemistry Tree

Darrin M. York, Ph.D.

Affiliations:

Rutgers University, New Brunswick, NJ, United States

Area:

Theoretical Chemistry

Website:

http://theory.rutgers.edu/~york/

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Mean distance: 7.81

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Parents

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

Children

George M. Giambasu	grad student
Ming Huang	grad student
Adam Moser	grad student		Loras College
Jana K. Shen	grad student		UMN
Yang (Jana) Khandogin	grad student	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
Kin-Yiu Wong	post-doc	2010-2012	Hong Kong Baptist University

Collaborators

BETA: Related publications

Publications

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Giambasu GM, Case DA, York DM. (2019) Predicting site-binding modes of ions and water to nucleic acids using molecular solvation theory. Journal of the American Chemical Society
König G, Brooks BR, Thiel W, et al. (2018) On the convergence of multi-scale free energy simulations. Molecular Simulation. 44: 1062-1081
König G, Pickard FC, Huang J, et al. (2018) A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes. Molecules (Basel, Switzerland). 23
Lee TS, Cerutti DS, Mermelstein D, et al. (2018) GPU-accelerated molecular dynamics and free energy methods in Amber18: performance enhancements and new features. Journal of Chemical Information and Modeling
Giese TJ, York DM. (2018) A GPU-Accelerated Parameter Interpolation Thermodynamic Integration Free Energy Method. Journal of Chemical Theory and Computation
Harris ME, York DM, Piccirilli JA, et al. (2017) Kinetic Isotope Effect Analysis of RNA 2'-O-Transphosphorylation. Methods in Enzymology. 596: 433-457
Giese TJ, York DM. (2017) Quantum mechanical force fields for condensed phase molecular simulations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 29: 383002
Huang M, Dissanayake T, Kuechler E, et al. (2017) A Multi-dimensional B-spline Method for Accurate Modeling Sugar Puckering in QM/MM Simulations. Journal of Chemical Theory and Computation
Lee T, Hu Y, Sherborne BS, et al. (2017) Towards fast and accurate binding affinity prediction with pmemdGTI: an efficient implementation of GPU-accelerated Thermodynamic Integration. Journal of Chemical Theory and Computation
Chen H, Giese TJ, Golden BL, et al. (2017) Divalent metal ion activation of a guanine general base in the hammerhead ribozyme: insights from molecular simulations. Biochemistry

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