His primary areas of study are Molecular dynamics, Computational chemistry, Chemical physics, Solvation and Quantum. When carried out as part of a general Molecular dynamics research project, his work on Particle Mesh is frequently linked to work in Replica, therefore connecting diverse disciplines of study. The concepts of his Particle Mesh study are interwoven with issues in Molecular physics, Fast Fourier transform and Ewald summation.
His study looks at the intersection of Computational chemistry and topics like Proton affinity with Enol, Tautomer and Enthalpy. His Quantum research includes elements of Molecule, Electronic structure and Macromolecule. His research investigates the connection between Electrostatics and topics such as P3M that intersect with issues in Interpolation.
His primary areas of study are Computational chemistry, Molecular dynamics, Stereochemistry, Quantum and Solvation. His Computational chemistry study integrates concerns from other disciplines, such as Nucleic acid, Molecule, Catalysis, Transition state and Kinetic isotope effect. His Molecular dynamics research integrates issues from Crystallography, Active site, Electrostatics, Hydrogen bond and Ion.
His Electrostatics research focuses on Particle Mesh in particular. Darrin M. York works mostly in the field of Stereochemistry, limiting it down to topics relating to Ribozyme and, in certain cases, Phosphodiester bond and QM/MM. His studies in Solvation integrate themes in fields like Chemical physics, Thio- and Thermodynamics.
Molecular dynamics, Ribozyme, Computational chemistry, Stereochemistry and Active site are his primary areas of study. His research integrates issues of Chemical physics, Ab initio and Work in his study of Molecular dynamics. His Ribozyme research is multidisciplinary, incorporating elements of Guanine, Deoxyribozyme, Phosphodiester bond, Molecular simulation and Nucleophile.
His biological study spans a wide range of topics, including Nucleic acid, Solvation, Kinetic isotope effect, RNase P and Diatomic molecule. His Stereochemistry study incorporates themes from Molecule, Hydrogen bond and Catalysis. His studies deal with areas such as Nucleobase, Protonation, Leaving group, Conformational change and Binding site as well as Active site.
His primary scientific interests are in Molecular dynamics, Ion, Work, Thermodynamic integration and Nucleic acid. His Molecular dynamics research incorporates elements of Chemical physics, Stereochemistry and Ribozyme. His research in Thermodynamic integration intersects with topics in Graphics processing unit, Computational science and Interpolation.
The Nucleic acid study combines topics in areas such as Inorganic chemistry, RNase P, Multiscale modeling, Computational chemistry and QM/MM. His study on Computational chemistry is mostly dedicated to connecting different topics, such as Aqueous solution. His Quantum study combines topics from a wide range of disciplines, such as Particle Mesh and Distributed computing.
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Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
Tom Darden;Darrin York;Lee Pedersen.
Journal of Chemical Physics (1993)
CHARMM: the biomolecular simulation program.
B. R. Brooks;C. L. Brooks;A. D. Mackerell;L. Nilsson.
Journal of Computational Chemistry (2009)
The effect of long‐range electrostatic interactions in simulations of macromolecular crystals: A comparison of the Ewald and truncated list methods
Darrin M. York;Tom A. Darden;Lee G. Pedersen.
Journal of Chemical Physics (1993)
Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method: Third-Order Expansion of the Density Functional Theory Total Energy and Introduction of a Modified Effective Coulomb Interaction
Yang Yang;Haibo Yu;Darrin York;Qiang Cui.
Journal of Physical Chemistry A (2007)
An Efficient Linear-Scaling Ewald Method for Long-Range Electrostatic Interactions in Combined QM/MM Calculations.
Kwangho Nam;Jiali Gao;Darrin M. York.
Journal of Chemical Theory and Computation (2005)
A chemical potential equalization method for molecular simulations
Darrin M. York;Weitao Yang.
Journal of Chemical Physics (1996)
Atomic-level accuracy in simulations of large protein crystals
Darrin M. York;Alexander Wlodawer;Lee G. Pedersen;Tom A. Darden.
Proceedings of the National Academy of Sciences of the United States of America (1994)
Toward the Accurate Modeling of DNA: The Importance of Long-Range Electrostatics
Darrin M. York;Weitao Yang;Hsing Lee;Tom Darden.
Journal of the American Chemical Society (1995)
Linear‐scaling semiempirical quantum calculations for macromolecules
Tai‐Sung Lee;Darrin M. York;Weitao Yang.
Journal of Chemical Physics (1996)
Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation
Jason M. Swails;Darrin M. York;Adrian E. Roitberg.
Journal of Chemical Theory and Computation (2014)
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