What is he best known for?
The fields of study he is best known for:
- Enzyme
- Catalysis
- Quantum mechanics
Computational chemistry, Aqueous solution, Molecular dynamics, Stereochemistry and Active site are his primary areas of study.
His Computational chemistry research includes themes of Ab initio quantum chemistry methods, Polarizable continuum model, Solvent effects, Ab initio and Intramolecular force.
His Aqueous solution study combines topics from a wide range of disciplines, such as Catechol, Activation energy, Solvent and Molecule, Zwitterion.
His Molecular dynamics research incorporates themes from Chemical physics, Reaction coordinate, Reaction dynamics and Density functional theory.
His research investigates the connection between Stereochemistry and topics such as Enzyme catalysis that intersect with issues in Protein dynamics.
His Active site research includes elements of Reaction rate constant and Physical chemistry.
His most cited work include:
- GEPOL: an improved description of molecular surfaces. III.: a new algorithm for the computation of a solvent-excluding surface (538 citations)
- GEPOL: An improved description of molecular surfaces II. Computing the molecular area and volume (206 citations)
- Why is glycine a zwitterion in aqueous solution? A theoretical study of solvent stabilising factors (132 citations)
What are the main themes of his work throughout his whole career to date?
His scientific interests lie mostly in Computational chemistry, Stereochemistry, Molecular dynamics, Catalysis and Active site.
The concepts of his Computational chemistry study are interwoven with issues in Chemical reaction, Ab initio, Molecule, Solvent effects and Aqueous solution.
His Stereochemistry research is multidisciplinary, incorporating elements of Enzyme catalysis, Substrate, Enzyme, QM/MM and Reaction mechanism.
His Molecular dynamics research includes themes of Chemical physics, Reactivity and Reaction coordinate.
His Catalysis research is multidisciplinary, incorporating perspectives in Reaction rate constant, Catechol, Protonation and Dihydrofolate reductase.
His Active site research includes elements of Chorismate mutase and Molecular model.
He most often published in these fields:
- Computational chemistry (34.10%)
- Stereochemistry (30.88%)
- Molecular dynamics (24.42%)
What were the highlights of his more recent work (between 2014-2021)?
- Stereochemistry (30.88%)
- Molecular dynamics (24.42%)
- Catalysis (21.20%)
In recent papers he was focusing on the following fields of study:
His primary areas of investigation include Stereochemistry, Molecular dynamics, Catalysis, Computational chemistry and QM/MM.
His Stereochemistry research incorporates elements of Lyase, DNA, Active site, Catalytic function and Substrate.
The study incorporates disciplines such as Potential of mean force and Molecular mechanics in addition to Active site.
His studies in Molecular dynamics integrate themes in fields like Atom, Reactivity and Spin-½.
His Catalysis research is multidisciplinary, relying on both Protonation and Dihydrofolate reductase, Enzyme.
Reaction coordinate is the focus of his Computational chemistry research.
Between 2014 and 2021, his most popular works were:
- Chemical Ligation and Isotope Labeling to Locate Dynamic Effects during Catalysis by Dihydrofolate Reductase (28 citations)
- Computational strategies for the design of new enzymatic functions. (28 citations)
- Protein Conformational Landscapes and Catalysis. Influence of Active Site Conformations in the Reaction Catalyzed by L-Lactate Dehydrogenase. (27 citations)
In his most recent research, the most cited papers focused on:
- Enzyme
- Catalysis
- Quantum mechanics
The scientist’s investigation covers issues in Catalysis, Stereochemistry, Enzyme catalysis, Computational chemistry and QM/MM.
His Catalysis research integrates issues from Substrate and Enzyme.
Iñaki Tuñón has included themes like Cytosine, Biochemistry, DNA, Ternary complex and Reaction mechanism in his Stereochemistry study.
His biological study spans a wide range of topics, including Scientific method, Kinetic isotope effect, Dihydrofolate reductase, Transition state theory and Intramolecular force.
Many of his research projects under Computational chemistry are closely connected to Hexachlorocyclohexane with Hexachlorocyclohexane, tying the diverse disciplines of science together.
The QM/MM study combines topics in areas such as Reaction rate constant, Protonation and Active site.
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