What is he best known for?
The fields of study he is best known for:
Adrian J. Mulholland mostly deals with Computational chemistry, Stereochemistry, QM/MM, Molecular dynamics and Enzyme catalysis.
The study incorporates disciplines such as Biochemical engineering, Catalytic efficiency, Ab initio, Substrate and Transition state in addition to Computational chemistry.
His studies in Stereochemistry integrate themes in fields like Reactivity, Cytochrome P450, Enzyme and Drug discovery.
His research investigates the connection between QM/MM and topics such as Molecular mechanics that intersect with issues in Hydrolysis and Electronic structure.
His study in Molecular dynamics is interdisciplinary in nature, drawing from both Molecular engineering, Molecular conformation and Synthetic biology.
Adrian J. Mulholland has researched Enzyme catalysis in several fields, including Protein structure, Protein dynamics and Chemical physics.
His most cited work include:
- Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology (305 citations)
- Atomic description of an enzyme reaction dominated by proton tunneling (236 citations)
- High‐Accuracy Computation of Reaction Barriers in Enzymes (218 citations)
What are the main themes of his work throughout his whole career to date?
His primary areas of study are Stereochemistry, QM/MM, Computational chemistry, Molecular dynamics and Active site.
His research in Stereochemistry focuses on subjects like Reactivity, which are connected to Hydroxylation.
The concepts of his QM/MM study are interwoven with issues in Covalent bond and Molecular mechanics.
His research investigates the connection with Computational chemistry and areas like Enzyme catalysis which intersect with concerns in Protein dynamics.
His research in Molecular dynamics intersects with topics in Chemical physics, Plasma protein binding, Docking, Biophysics and Protein structure.
Within one scientific family, Adrian J. Mulholland focuses on topics pertaining to Citrate synthase under Active site, and may sometimes address concerns connected to Photochemistry and Nucleophile.
He most often published in these fields:
- Stereochemistry (30.68%)
- QM/MM (29.48%)
- Computational chemistry (23.90%)
What were the highlights of his more recent work (between 2017-2021)?
- Molecular dynamics (23.90%)
- Biophysics (8.76%)
- Stereochemistry (30.68%)
In recent papers he was focusing on the following fields of study:
Adrian J. Mulholland mainly focuses on Molecular dynamics, Biophysics, Stereochemistry, Enzyme and Enzyme catalysis.
His Molecular dynamics study combines topics in areas such as Chemical physics, Docking, Virtual reality, Human–computer interaction and Synthetic biology.
His Stereochemistry study incorporates themes from Covalent bond, Tryptophan, QM/MM, Monoterpene and Klebsiella pneumoniae.
As part of the same scientific family, Adrian J. Mulholland usually focuses on QM/MM, concentrating on NS3 and intersecting with Zika virus.
His Enzyme study also includes
- Directed evolution that connect with fields like Biocatalysis,
- Catalysis and related Ab initio,
- β lactamases, which have a strong connection to Allosteric regulation.
As part of one scientific family, he deals mainly with the area of Enzyme catalysis, narrowing it down to issues related to the Active site, and often Amino acid.
Between 2017 and 2021, his most popular works were:
- Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein. (80 citations)
- Sampling molecular conformations and dynamics in a multiuser virtual reality framework (57 citations)
- P450-Catalyzed Regio- and Diastereoselective Steroid Hydroxylation: Efficient Directed Evolution Enabled by Mutability Landscaping (49 citations)
In his most recent research, the most cited papers focused on:
Adrian J. Mulholland spends much of his time researching Molecular dynamics, Biophysics, Biocatalysis, Severe acute respiratory syndrome coronavirus 2 and Human–computer interaction.
His work deals with themes such as Chemical physics, Michael reaction, Synthetic biology and Triosephosphate isomerase, which intersect with Molecular dynamics.
His research in Biophysics tackles topics such as Receptor which are related to areas like Binding energy and C region.
Adrian J. Mulholland has included themes like Epoxide, Active site, Enzyme, Reactivity and Stereochemistry in his Biocatalysis study.
While working in this field, Adrian J. Mulholland studies both Stereochemistry and Epoxide Hydrolases.
In general Human–computer interaction study, his work on Virtual reality often relates to the realm of Controlled studies and Virtual machine, thereby connecting several areas of interest.
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