Open AccessComputer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme
Author(s) -
Johan Åqvist
Publication year - 2022
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.1c05814
Subject(s) - chemistry , catalysis , thermodynamics , activation energy , arrhenius equation , substrate (aquarium) , transition state , enzyme catalysis , molecular dynamics , computational chemistry , transition state theory , reaction rate , kinetic energy , reaction rate constant , kinetics , organic chemistry , physics , oceanography , quantum mechanics , geology