Dan Thomas Major (Dan T Major)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 36

Top Venues

The journal of physical chemistry. B

Journal of the American Chemical Society

Beilstein journal of organic chemistry

Journal of chemical theory and computation

Bar-Ilan University

Bar-Ilan University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Bar-Ilan University Oct 01 2007

Israel

Professor :: Chemistry

Education History

Bar-Ilan University Oct 01 1997 - Oct 01 2003

Israel

PHD :: Chemistry

Publications

Renana Schwartz, Shani Zev, Dan Thomas Major
Differential Substrate Sensing in Terpene Synthases from Plants and Microorganisms: Insight from Structural, Bioinformatic, and EnzyDock Analyses. Angewandte Chemie (International ed. in English) 63 (21) (2024)
Naziha Tarannam, Prashant Kumar Gupta, Shani Zev, Dan Thomas Major
Stability trends in carbocation intermediates stemming from germacrene A and hedycaryol. Beilstein journal of organic chemistry 20 (2024)
Naziha Tarannam, Prashant Kumar Gupta, Shani Zev, Dan Thomas Major
Stability trends in carbocation intermediates stemming from germacrene A and hedycaryol. Beilstein journal of organic chemistry 20 (2024)
Renana Schwartz, Shani Zev, Dan Thomas Major
Differential Substrate Sensing in Terpene Synthases from Plants and Microorganisms: Insight from Structural, Bioinformatic, and EnzyDock Analyses. Angewandte Chemie (International ed. in English) 63 (21) (2024)
Wonmuk Hwang, Steven L Austin, Arnaud Blondel, Eric D Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih-Wei Chu, Michael F Crowley, Qiang Cui, Ana Damjanovic, Yuqing Deng, Michael Devereux, Xinqiang Ding, Michael F Feig, Jiali Gao, David R Glowacki, James E Gonzales, Mehdi Bagerhi Hamaneh, Edward D Harder, Ryan L Hayes, Jing Huang, Yandong Huang, Phillip S Hudson, Wonpil Im, Shahidul M Islam, Wei Jiang, Michael R Jones, Silvan Käser, Fiona L Kearns, Nathan R Kern, Jeffery B Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A Lemkul, Xiaorong Liu, Yun Lyna Luo, Alexander D MacKerell, Dan Thomas Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W Pastor, Amanda R Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, John Z H Zhang, Thenmalarchelvi Rathinavelan, Daniel R Roe, Benoı T Roux, Christopher N Rowley, Jana Shen, Andrew C Simmonett, Alexander J Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M Venable, Luke C Warrensford, H Lee Woodcock, Yujin Wu, Charles L Brooks Iii, Bernard R Brooks, Martin Karplus
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The journal of physical chemistry. B (2024)
Renana Schwartz, Shani Zev, Dan Thomas Major
Differential Substrate Sensing in Terpene Synthases from Plants and Microorganisms: Insight from Structural, Bioinformatic, and EnzyDock Analyses. Angewandte Chemie (International ed. in English) (2024)
Michal Roth, Yoni Toker, Dan Thomas Major
Monte Carlo-Simulated Annealing and Machine Learning-Based Funneled Approach for Finding the Global Minimum Structure of Molecular Clusters. ACS omega 9 (1) (2023)
Michal Roth, Yoni Toker, Dan Thomas Major
Monte Carlo-Simulated Annealing and Machine Learning-Based Funneled Approach for Finding the Global Minimum Structure of Molecular Clusters. ACS omega 9 (1) (2023)
Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao
Origin of Catalysis by Nitroalkane Oxidase. The journal of physical chemistry. B 127 (1) (2022)
Shani Zev, Marion Ringel, Ronja Driller, Bernhard Loll, Thomas Bartholomäus Brück, Dan Thomas Major
Understanding the competing pathways leading to hydropyrene and isoelisabethatriene. Beilstein journal of organic chemistry 18 (2022)
Renana Schwartz, Sharon Ruthstein, Dan Thomas Major
Copper coordination states affect the flexibility of copper Metallochaperone Atox1: Insights from molecular dynamics simulations. Protein science : a publication of the Protein Society 31 (12) (2022)
Gil Kolin, Renana Schwartz, Daniel Shuster, Dan Thomas Major, Shmaryahu Hoz
Cooperative Intrinsic Basicity and Hydrogen Bonding Render SmI 2 More Azaphilic than Oxophilic. ACS omega 7 (44) (2022)
Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao
Origin of Catalysis by Nitroalkane Oxidase. The journal of physical chemistry. B 127 (1) (2022)
Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao
Origin of Catalysis by Nitroalkane Oxidase. The journal of physical chemistry. B 127 (1) (2022)
Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao
Origin of Catalysis by Nitroalkane Oxidase. The journal of physical chemistry. B (2022)
Anil Ranu Mhashal, Dan Thomas Major
Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations. The journal of physical chemistry. B 125 (5) (2021)
Shani Zev, Keren Raz, Renana Schwartz, Reem Tarabeh, Prashant Kumar Gupta, Dan Thomas Major
Benchmarking the Ability of Common Docking Programs to Correctly Reproduce and Score Binding Modes in SARS-CoV-2 Protease Mpro. Journal of chemical information and modeling 61 (6) (2021)
Yehonatan Levartovsky, Arup Chakraborty, Sooraj Kunnikuruvan, Sandipan Maiti, Judith Grinblat, Michael Talianker, Dan Thomas Major, Doron Aurbach
Enhancement of Structural, Electrochemical, and Thermal Properties of High-Energy Density Ni-Rich LiNi0.85Co0.1Mn0.05O2 Cathode Materials for Li-Ion Batteries by Niobium Doping. ACS applied materials & interfaces 13 (29) (2021)
Netanel Shpigel, Arup Chakraborty, Fyodor Malchik, Gil Bergman, Amey Nimkar, Bar Gavriel, Meital Turgeman, Chulgi Nathan Hong, Maria R Lukatskaya, Mikhael D Levi, Yury Gogotsi, Dan Thomas Major, Doron Aurbach
Can Anions Be Inserted into MXene? Journal of the American Chemical Society 143 (32) (2021)
Shani Zev, Prashant Kumar Gupta, Efrat Pahima, Dan Thomas Major
A Benchmark Study of Quantum Mechanics and Quantum Mechanics-Molecular Mechanics Methods for Carbocation Chemistry. Journal of chemical theory and computation 18 (1) (2021)
Renana Schwartz, Sharon Ruthstein, Dan Thomas Major
Molecular Dynamics Simulations of the Apo and Holo States of the Copper Binding Protein CueR Reveal Principal Bending and Twisting Motions. The journal of physical chemistry. B 125 (33) (2021)
Leonidas-Dimitrios Syntrivanis, Ivana Némethová, Dario Schmid, Shani Levi, Alessandro Prescimone, Fabian Bissegger, Dan Thomas Major, Konrad Tiefenbacher
Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis. Journal of the American Chemical Society 142 (12) (2020)
Keren Raz, Ronja Driller, Thomas Bartholomäus Brück, Bernhard Loll, Dan Thomas Major
Understanding the role of active site residues in CotB2 catalysis using a cluster model. Beilstein journal of organic chemistry 16 (2020)
Arup Chakraborty, Sooraj Kunnikuruvan, David Zitoun, Dan Thomas Major
First principles study of electrocatalytic behavior of olivine phosphates with mixed alkali and mixed transition metal atoms. RSC advances 10 (49) (2020)
Suraj Kannath, Paweł Adamczyk, David Ferro-Costas, Antonio Fernandez-Ramos, Dan Thomas Major, Agnieszka Dybala-Defratyka
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 (2) (2020)
Keren Raz, Ronja Driller, Nicole Dimos, Marion Ringel, Thomas Bartholomäus Brück, Bernhard Loll, Dan Thomas Major
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 (51) (2020)
Ronja Driller, Daniel Garbe, Norbert Mehlmer, Monika Fuchs, Keren Raz, Dan Thomas Major, Thomas Bartholomäus Brück, Bernhard Loll
Current understanding and biotechnological application of the bacterial diterpene synthase CotB2. Beilstein journal of organic chemistry 15 (2019)
Efrat Pahima, Qi Zhang, Konrad Tiefenbacher, Dan Thomas Major
Discovering Monoterpene Catalysis Inside Nanocapsules with Multiscale Modeling and Experiments. Journal of the American Chemical Society 141 (15) (2019)
Susanta Das, Mor Shimshi, Keren Raz, Neta Nitoker Eliaz, Anil Ranu Mhashal, Tamar Ansbacher, Dan Thomas Major
EnzyDock: Protein-Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes. Journal of chemical theory and computation 15 (9) (2019)
Anil Ranu Mhashal, Yaron Pshetitsky, Reuven Eitan, Christopher M Cheatum, Amnon Kohen, Dan Thomas Major
Effect of Asp122 Mutation on the Hydride Transfer in E. coli DHFR Demonstrates the Goldilocks of Enzyme Flexibility. The journal of physical chemistry. B 122 (33) (2018)
Tamar Wolf, Sandeep Kumar, Harishchandra Singh, Tanmoy Chakrabarty, Fabien Aussenac, Anatoly I Frenkel, Dan Thomas Major, Michal Leskes
Endogenous Dynamic Nuclear Polarization for Natural Abundance 17O and Lithium NMR in the Bulk of Inorganic Solids. Journal of the American Chemical Society 141 (1) (2018)
Ronja Driller, Sophie Janke, Monika Fuchs, Evelyn Warner, Anil Ranu Mhashal, Dan Thomas Major, Mathias Christmann, Thomas Bartholomäus Brück, Bernhard Loll
Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis. Nature communications 9 (1) (2018)
Ortal Breuer, Arup Chakraborty, Jing Liu, Tatyana Kravchuk, Larisa Burstein, Judith Grinblat, Yaron Kauffman, Alexandr Gladkih, Prasant Nayak, Merav Tsubery, Anatoly I Frenkel, Michael Talianker, Dan Thomas Major, Boris Markovsky, Doron Aurbach
Understanding the Role of Minor Molybdenum Doping in LiNi0.5Co0.2Mn0.3O2 Electrodes: from Structural and Surface Analyses and Theoretical Modeling to Practical Electrochemical Cells. ACS applied materials & interfaces 10 (35) (2018)
Susanta Das, Kwangho Nam, Dan Thomas Major
Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical-Molecular Mechanical Simulations of Proton Transfer in DNA. Journal of chemical theory and computation 14 (3) (2018)
Anil Ranu Mhashal, Yaron Pshetitsky, Christopher M Cheatum, Amnon Kohen, Dan Thomas Major
Evolutionary Effects on Bound Substrate p Ka in Dihydrofolate Reductase. Journal of the American Chemical Society 140 (48) (2018)
Tamar Ansbacher, Yehoshua Freud, Dan Thomas Major
Slow-Starter Enzymes: Role of Active-Site Architecture in the Catalytic Control of the Biosynthesis of Taxadiene by Taxadiene Synthase. Biochemistry 57 (26) (2018)

Dan Thomas Major.css-eqlu8i{font-size:small;padding-left:4px;} (Dan T Major)

Publication Activity (10 Years)

Top Topics

Top Venues

Dan Thomas Major (Dan T Major)