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V. Moliner
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Electrostatics as a Guiding Principle in Understanding and Designing Enzymes
Loss of Hyperconjugative Effects Drives Hydride Transfer during Dihydrofolate Reductase Catalysis
Why are some enzymes dimers? Flexibility and catalysis in thermotoga maritima dihydrofolate reductase
Temperature dependence of dynamic, tunnelling and kinetic isotope effects in formate dehydrogenase
Isotope Substitution of Promiscuous Alcohol Dehydrogenase Reveals the Origin of Substrate Preference in the Transition State
QM/MM study of l-lactate oxidation by flavocytochrome: B2
Minimization of dynamic effects in the evolution of dihydrofolate reductase
Tuning the phosphoryl donor specificity of dihydroxyacetone kinase from ATP to inorganic polyphosphate. An insight from computational studies
Exploring Chemical Reactivity in Enzyme Catalyzed Processes Using QM/MM Methods: An Application to Dihydrofolate Reductase
A computational study of the phosphoryl transfer reaction between ATP and Dha in aqueous solution
Chemical Ligation and Isotope Labeling to Locate Dynamic Effects during Catalysis by Dihydrofolate Reductase
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