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  • 14 Similar Profiles
Free energy Chemical Compounds
Molecular orbitals Chemical Compounds
Proton transfer Chemical Compounds
Water Chemical Compounds
Polarization 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

4 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
1 Citations

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

Diabatic States at Construction (DAC) through Generalized Singular Value Decomposition

Liu, M., Chen, X., Grofe, A. & Gao, J., Oct 18 2018, In : Journal of Physical Chemistry Letters. 9, 20, p. 6038-6046 9 p.

Research output: Contribution to journalArticle

Singular value decomposition
decomposition
Potential energy surfaces
Excited states
electron transfer

Probing protein-protein interactions using asymmetric labeling and carbonyl-carbon selective heteronuclear NMR spectroscopy

Larsen, E. K., Olivieri, C., Walker, C., Veliparambil Subrahmanian, M., Gao, J., Bernlohr, D. A., Tonelli, M., Markley, J. L. & Veglia, G., Jan 1 2018, In : Molecules. 23, 8, 1937.

Research output: Contribution to journalReview article

Biomolecular Nuclear Magnetic Resonance
Labeling
Nuclear magnetic resonance spectroscopy
marking
Magnetic Resonance Spectroscopy

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