What is he best known for?
The fields of study he is best known for:
- Quantum mechanics
- Enzyme
- Organic chemistry
His primary areas of study are Computational chemistry, Quantum, Ab initio, Molecular dynamics and Physical chemistry.
Jiali Gao has researched Computational chemistry in several fields, including Hyperconjugation, Dipole, Gaussian orbital, Steric effects and Catalysis.
His Dipole research is multidisciplinary, relying on both Solvent models, Potential of mean force and Umbrella sampling.
His Ab initio research integrates issues from Cofactor, Nicotinamide, Thermodynamics, Basis set and Molecular orbital.
He has included themes like Solvation and Aqueous solution in his Thermodynamics study.
His study in the field of Drude particle is also linked to topics like Mechanical force.
His most cited work include:
- All-atom empirical potential for molecular modeling and dynamics studies of proteins. (10375 citations)
- CHARMM: the biomolecular simulation program. (4881 citations)
- How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations (797 citations)
What are the main themes of his work throughout his whole career to date?
Jiali Gao mainly focuses on Computational chemistry, Molecular dynamics, Quantum, Stereochemistry and Chemical physics.
His Computational chemistry research incorporates elements of Solvation, Molecule, Catalysis and Aqueous solution.
His Molecular dynamics study integrates concerns from other disciplines, such as Biophysics and Protein subunit.
His Stereochemistry research is multidisciplinary, incorporating elements of Crystallography, Enzyme catalysis, Hydrogen bond and Active site.
His Chemical physics study combines topics in areas such as Potential energy surface and Kinetic isotope effect.
As part of the same scientific family, Jiali Gao usually focuses on Thermodynamics, concentrating on Ab initio and intersecting with Diatomic molecule.
He most often published in these fields:
- Computational chemistry (29.69%)
- Molecular dynamics (20.62%)
- Quantum (15.94%)
What were the highlights of his more recent work (between 2017-2021)?
- Density functional theory (16.56%)
- Protein kinase A (7.50%)
- Cell biology (5.94%)
In recent papers he was focusing on the following fields of study:
His primary areas of investigation include Density functional theory, Protein kinase A, Cell biology, Molecular dynamics and Excited state.
His studies in Density functional theory integrate themes in fields like Molecular physics, Statistical physics, Hydrogen atom and Atomic orbital.
His research in Statistical physics intersects with topics in Charge, Ab initio, Ab initio quantum chemistry methods and Coupling.
In his study, Computational chemistry is inextricably linked to Bioinorganic chemistry, which falls within the broad field of Hydrogen atom.
His study in Cell biology is interdisciplinary in nature, drawing from both Protein subunit and Mechanism.
His work deals with themes such as Potential energy surface, Biophysics, Quantum, Path integral formulation and Active site, which intersect with Molecular dynamics.
Between 2017 and 2021, his most popular works were:
- Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions. (110 citations)
- Conformational Landscape of the PRKACA-DNAJB1 Chimeric Kinase, the Driver for Fibrolamellar Hepatocellular Carcinoma (13 citations)
- Conformational Landscape of the PRKACA-DNAJB1 Chimeric Kinase, the Driver for Fibrolamellar Hepatocellular Carcinoma (13 citations)
In his most recent research, the most cited papers focused on:
- Enzyme
- Quantum mechanics
- Organic chemistry
Jiali Gao focuses on Protein kinase A, Kinase, Cell biology, Density functional theory and Catalysis.
The Protein kinase A study combines topics in areas such as Heat shock protein, Cooperativity, Mutant and Mutation.
His biological study spans a wide range of topics, including Protein subunit, Allosteric regulation, Phosphorylation and Exon.
His studies deal with areas such as Unpaired electron, Electron, Atomic orbital and Spin as well as Density functional theory.
His Catalysis study combines topics from a wide range of disciplines, such as Autoxidation and Hydroxylation.
Jiali Gao works in the field of Enzyme, namely Enzyme catalysis.
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