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A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation.

artículo científico publicado en 2015

Atom-Condensed Fukui Function in Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide

scientific article published on 29 January 2020

Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases

artículo científico publicado en 2019

Catalytic Reaction Mechanism in Native and Mutant Catechol- O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis

scientific article published on 12 September 2018

Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions

artículo científico publicado en 2019

Four amino acids define the CO2 binding pocket of enoyl-CoA carboxylases/reductases

artículo científico publicado en 2019

The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate

artículo científico publicado en 2016

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