Dan Thomas Major
Affiliations: | Chemistry | Bar-Ilan University, Jerusalem, Jerusalem District, Israel |
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Parents
Sign in to add mentor| Bilha Fischer | grad student | 2003 | Bar-Ilan |
| Jiali Gao | post-doc | 2003-2006 | UMN |
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Publications
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| Major DT, Gupta PK, Gao J. (2022) Origin of Catalysis by Nitroalkane Oxidase. The Journal of Physical Chemistry. B. 127: 151-162 |
| Mhashal AR, Major DT. (2021) Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations. The Journal of Physical Chemistry. B |
| Raz K, Driller R, Dimos N, et al. (2020) The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol. Journal of the American Chemical Society. 142: 21562-21574 |
| Raz K, Levi S, Gupta PK, et al. (2020) Enzymatic control of product distribution in terpene synthases: insights from multiscale simulations. Current Opinion in Biotechnology. 65: 248-258 |
| Perkal O, Qasem Z, Turgeman M, et al. (2020) Cu(I) Controls Conformational States in Human Atox1 Metallochaperone: An EPR and Multiscale Simulation Study. The Journal of Physical Chemistry. B |
| Raz K, Driller R, Brück T, et al. (2020) Understanding the role of active site residues in CotB2 catalysis using a cluster model. Beilstein Journal of Organic Chemistry. 16: 50-59 |
| Kannath S, Adamczyk P, Ferro-Costas D, et al. (2020) Role of Microsolvation and Quantum Effects in the Accurate Prediction of Kinetic Isotope Effects: The Case of Hydrogen Atom Abstraction in Ethanol by Atomic Hydrogen in Aqueous Solution. Journal of Chemical Theory and Computation. 16: 847-859 |
| Chakraborty A, Kunnikuruvan S, Zitoun D, et al. (2020) First principles study of electrocatalytic behavior of olivine phosphates with mixed alkali and mixed transition metal atoms Rsc Advances. 10: 29175-29180 |
| Chakraborty A, Kunnikuruvan S, Kumar S, et al. (2020) Layered Cathode Materials for Lithium-Ion Batteries: Review of Computational Studies on LiNi1–x–yCoxMnyO2 and LiNi1–x–yCoxAlyO2 Chemistry of Materials. 32: 915-952 |
| Driller R, Garbe D, Mehlmer N, et al. (2019) Current understanding and biotechnological application of the bacterial diterpene synthase CotB2. Beilstein Journal of Organic Chemistry. 15: 2355-2368 |