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 51 Citations 8,095 176 World Ranking 10309 National Ranking 284

Overview

What is he best known for?

The fields of study Andriy Kovalenko is best known for:

  • Molecule
  • Enzyme
  • Molecular dynamics

Solvation is connected with Implicit solvation and Solvation shell in his research. Andriy Kovalenko performs integrative study on Implicit solvation and Solvation in his works. His research ties Molecular orbital and Organic chemistry together. His work often combines Computational chemistry and Density functional theory studies. He connects Density functional theory with Molecular dynamics in his study. He performs integrative study on Molecular dynamics and Solvation shell in his works. In his research, he undertakes multidisciplinary study on Chemical physics and Quantum mechanics. He performs integrative study on Quantum mechanics and Computational chemistry. His study connects Dilution and Thermodynamics.

His most cited work include:

  • Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model (568 citations)
  • Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach (387 citations)
  • Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach (245 citations)

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

His work in Organic chemistry is not limited to one particular discipline; it also encompasses Ion. By researching both Ion and Solvation, he produces research that crosses academic boundaries. In his works, Andriy Kovalenko conducts interdisciplinary research on Computational chemistry and Density functional theory. In his research, Andriy Kovalenko performs multidisciplinary study on Density functional theory and Computational chemistry. His study deals with a combination of Molecule and Crystallography. He performs multidisciplinary studies into Crystallography and Molecule in his work. In his research, Andriy Kovalenko performs multidisciplinary study on Thermodynamics and Statistical physics. He performs multidisciplinary study in Statistical physics and Thermodynamics in his work. His work often combines Chemical physics and Quantum mechanics studies.

Andriy Kovalenko most often published in these fields:

  • Organic chemistry (69.40%)
  • Computational chemistry (60.45%)
  • Molecule (55.22%)

What were the highlights of his more recent work (between 2018-2021)?

  • Organic chemistry (81.82%)
  • Solvation (72.73%)
  • Computational chemistry (72.73%)

In recent works Andriy Kovalenko was focusing on the following fields of study:

A component of his Membrane study involves Permeability (electromagnetism) and Membrane permeability. Permeability (electromagnetism) is closely attributed to Membrane in his research. Gene is the topic of his studies on In silico and Robustness (evolution). His study in Biochemistry extends to Robustness (evolution) with its themes. In his study, Andriy Kovalenko carries out multidisciplinary Biochemistry and Biological system research. Andriy Kovalenko integrates many fields, such as Biological system and Gene, in his works. His Dimethyl sulfoxide research extends to Organic chemistry, which is thematically connected. Andriy Kovalenko merges many fields, such as Dimethyl sulfoxide and Solvent, in his writings. Andriy Kovalenko carries out multidisciplinary research, doing studies in Solvent and Acetonitrile.

Between 2018 and 2021, his most popular works were:

  • Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute Parameters (26 citations)
  • A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site (22 citations)
  • To Pass or Not To Pass: Predicting the Blood–Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation Theory (21 citations)

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

  • Implicit solvation
  • Quantum mechanics
  • Molecular dynamics

Andriy Kovalenko applies his multidisciplinary studies on Molecule and Membrane in his research. His Membrane study frequently draws connections to other fields, such as Permeability (electromagnetism). His Permeability (electromagnetism) study typically links adjacent topics like Biochemistry. In his research, he undertakes multidisciplinary study on Biochemistry and Molecule. In his works, Andriy Kovalenko performs multidisciplinary study on Implicit solvation and Solvation. Solvation is closely attributed to Organic chemistry in his study. His study connects Implicit solvation and Organic chemistry. In his study, he carries out multidisciplinary Computational chemistry and Density functional theory research. He combines Density functional theory and Computational chemistry in his studies.

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

Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model

Andriy Kovalenko;Fumio Hirata.
Journal of Chemical Physics (1999)

670 Citations

Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach

Andriy Kovalenko;Fumio Hirata.
Chemical Physics Letters (1998)

435 Citations

Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach

Andriy Kovalenko;Fumio Hirata.
Journal of Chemical Physics (2000)

308 Citations

Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace

Andriy Kovalenko;Seiichiro Ten-no;Fumio Hirata.
Journal of Computational Chemistry (1999)

305 Citations

Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber

Tyler Luchko;Sergey Gusarov;Daniel R. Roe;Carlos Simmerling.
Journal of Chemical Theory and Computation (2010)

258 Citations

Coarse-grained molecular simulation of diffusion and reaction kinetics in a crowded virtual cytoplasm.

Douglas Ridgway;Gordon Broderick;Ana Lopez-Campistrous;Melania Ru’aini.
Biophysical Journal (2008)

249 Citations

Diazonium-derived aryl films on gold nanoparticles: evidence for a carbon-gold covalent bond.

Lars Laurentius;Stanislav R Stoyanov;Sergey Gusarov;Andriy Kovalenko;Andriy Kovalenko.
ACS Nano (2011)

219 Citations

Molecular Basis for Water-Promoted Supramolecular Chirality Inversion in Helical Rosette Nanotubes

Ross S Johnson;Takeshi Yamazaki;Andriy Kovalenko;Hicham Fenniri.
Journal of the American Chemical Society (2007)

195 Citations

A theoretical analysis on hydration thermodynamics of proteins

Takashi Imai;Yuichi Harano;Masahiro Kinoshita;Andriy Kovalenko.
Journal of Chemical Physics (2006)

195 Citations

Hydration free energy of hydrophobic solutes studied by a reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method

Andriy Kovalenko;Fumio Hirata.
Journal of Chemical Physics (2000)

180 Citations

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