Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations

por Mhashal, Anil R., Major, Dan Thomas
Publicado 2021

How Accurate Are Transition States from Simulations of Enzymatic Reactions?

por Doron, Dvir, Kohen, Amnon, Nam, Kwangho, Major, Dan Thomas
Publicado 2014

Shaping Polyyne Rods by Using an Electric Field

por Rozental, Esther, Altus, Eli, Major, Dan Thomas, Hoz, Shmaryahu
Publicado 2017

Cooperative Intrinsic Basicity and Hydrogen Bonding Render SmI(2) More Azaphilic than Oxophilic

por Kolin, Gil, Schwartz, Renana, Shuster, Daniel, Major, Dan Thomas, Hoz, Shmaryahu
Publicado 2022

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 Sol...

por Kannath, Suraj, Adamczyk, Paweł, Ferro-Costas, David, Fernández-Ramos, Antonio, Major, Dan Thomas, Dybala-Defratyka, Agnieszka
Publicado 2020

Current understanding and biotechnological application of the bacterial diterpene synthase CotB2

por Driller, Ronja, Garbe, Daniel, Mehlmer, Norbert, Fuchs, Monika, Raz, Keren, Major, Dan Thomas, Brück, Thomas, Loll, Bernhard
Publicado 2019

Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis

por Driller, Ronja, Janke, Sophie, Fuchs, Monika, Warner, Evelyn, Mhashal, Anil R., Major, Dan Thomas, Christmann, Mathias, Brück, Thomas, Loll, Bernhard
Publicado 2018

Cu(I) Controls Conformational States in Human Atox1 Metallochaperone: An EPR and Multiscale Simulation Study

por Perkal, Ortal, Qasem, Zena, Turgeman, Meital, Schwartz, Renana, Gevorkyan-Airapetov, Lada, Pavlin, Matic, Magistrato, Alessandra, Major, Dan Thomas, Ruthstein, Sharon
Publicado 2020