D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 54 Citations 41,372 186 World Ranking 8831 National Ranking 2581

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Molecule
  • Enzyme

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 most cited work include:

  • Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems (16614 citations)
  • CHARMM: the biomolecular simulation program. (4881 citations)
  • The effect of long‐range electrostatic interactions in simulations of macromolecular crystals: A comparison of the Ewald and truncated list methods (423 citations)

What are the main themes of his work throughout his whole career to date?

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.

He most often published in these fields:

  • Computational chemistry (31.79%)
  • Molecular dynamics (26.67%)
  • Stereochemistry (19.49%)

What were the highlights of his more recent work (between 2014-2021)?

  • Molecular dynamics (26.67%)
  • Ribozyme (12.31%)
  • Computational chemistry (31.79%)

In recent papers he was focusing on the following fields of study:

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.

Between 2014 and 2021, his most popular works were:

  • GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features. (85 citations)
  • Force Field for Mg(2+), Mn(2+), Zn(2+), and Cd(2+) Ions That Have Balanced Interactions with Nucleic Acids. (47 citations)
  • Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration. (45 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Molecule
  • Enzyme

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.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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)

25292 Citations

CHARMM: the biomolecular simulation program.

B. R. Brooks;C. L. Brooks;A. D. Mackerell;L. Nilsson.
Journal of Computational Chemistry (2009)

7284 Citations

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)

668 Citations

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)

341 Citations

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)

281 Citations

A chemical potential equalization method for molecular simulations

Darrin M. York;Weitao Yang.
Journal of Chemical Physics (1996)

259 Citations

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)

236 Citations

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)

223 Citations

Linear‐scaling semiempirical quantum calculations for macromolecules

Tai‐Sung Lee;Darrin M. York;Weitao Yang.
Journal of Chemical Physics (1996)

220 Citations

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)

218 Citations

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