Darrin M. York, Ph.D.

Rutgers University, New Brunswick, NJ, United States 
Theoretical Chemistry
"Darrin York"
Mean distance: 7.81


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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)


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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
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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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