Fingerprint The Fingerprint is created by mining the titles and abstracts of the person's research outputs and projects/funding awards to create an index of weighted terms from discipline-specific thesauri.

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Free energy Chemical Compounds
Molecular orbitals Chemical Compounds
Proton transfer Chemical Compounds
Polarization Chemical Compounds
Water Chemical Compounds
Molecular dynamics Chemical Compounds
Isotopes Chemical Compounds
Potential energy surfaces Chemical Compounds

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Projects 2000 2017

Research Output 1985 2018

3 Citations

Comment on "substrate Folding Modes in Trichodiene Synthase: A Determinant of Chemo- and Stereoselectivity"

Dixit, M., Weitman, M., Gao, J. & Major, D. T. Feb 2 2018 In : ACS Catalysis. 8, 2, p. 1371-1375 5 p.

Research output: Contribution to journalArticle

Stereoselectivity
Biosynthesis
Mass spectrometry
Nuclear magnetic resonance
Substrates

Conformational Landscape of the PRKACA-DNAJB1 Chimeric Kinase, the Driver for Fibrolamellar Hepatocellular Carcinoma

Tomasini, M. D., Wang, Y., Karamafrooz, A., Li, G., Beuming, T., Gao, J., Taylor, S. S., Veglia, G. & Simon, S. M. Dec 1 2018 In : Scientific Reports. 8, 1, 720

Research output: Contribution to journalArticle

Phosphotransferases
Exons
HSP40 Heat-Shock Proteins
Cyclic AMP-Dependent Protein Kinase Catalytic Subunits
Holoenzymes

The charger transfer electronic coupling in diabatic perspective: A multi-state density functional theory study

Guo, X., Qu, Z. & Gao, J. Jan 1 2018 In : Chemical Physics Letters. 691, p. 91-97 7 p.

Research output: Contribution to journalArticle

Density functional theory
density functional theory
electronics
Charge transfer
charge transfer
9 Citations

Chemical Control in the Battle against Fidelity in Promiscuous Natural Product Biosynthesis: The Case of Trichodiene Synthase

Dixit, M., Weitman, M., Gao, J. & Major, D. T. Jan 6 2017 In : ACS Catalysis. 7, 1, p. 812-818 7 p.

Research output: Contribution to journalArticle

Biosynthesis
Terpenes
Biological Products
Sulfur
Barreling
6 Citations
Excited states
Ground state
Density functional theory
density functional theory
ground state