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David Adrian Saez

Observed names: David A. Saez, David A. Sáez, David Saez, Saez, David Adrian
ORCID: 0000-0001-5555-8720
Observed ORCID: 0000-0001-5555-8720
OpenAlex ID: A5018464886
Four amino acids define the CO 2 binding pocket of enoyl-CoA carboxylases/reductases
2019 · Gabriele M. M. Stoffel, David Adrian Saez, et al. · Proceedings of the National Academy of Sciences · 66
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High level ab initio binding energy distribution of molecules on interstellar ices: Hydrogen fluoride
2020 · Giulia Bovolenta, Stefano Bovino, et al. · Molecular astrophysics · 42
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Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases
2019 · Iria Bernhardsgrütter, Kristina Schell, et al. · Journal of the American Chemical Society · 35
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A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation
2015 · David Adrian Saez, Esteban Vöhringer-Martinez · Journal of Computer-Aided Molecular Design · 25
Atom-Condensed Fukui Function in Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide
2020 · Javier Oller, David Adrian Saez, et al. · The Journal of Physical Chemistry A · 18
Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases
2022 · Hasan DeMirci, Yashas Rao, et al. · ACS Central Science · 17
Covalent Adduct Formation as a Strategy for Efficient CO 2 Fixation in Crotonyl-CoA Carboxylases/Reductases
2023 · Rodrigo Recabarren, Matthias Tinzl, et al. · ACS Catalysis · 12
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Catalytic Reaction Mechanism in Native and Mutant Catechol- O -methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis
2018 · David Adrian Saez, Kirill Zinovjev, et al. · The Journal of Physical Chemistry B · 11
The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate
2016 · David Adrian Saez, Stefan Vogt-Geisse, et al. · Physical Chemistry Chemical Physics · 7
Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions
2019 · Oscar A. Douglas‐Gallardo, David Adrian Saez, et al. · Journal of Computational Chemistry · 6
Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in Enzymes
2025 · José Luís Velázquez‐Libera, Rodrigo Recabarren, et al. · Journal of Computational Chemistry · 4
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Ene-adducts from 1,4-dihydropyridines and α,β-unsaturated nitriles: asynchronous transition states displaying aromatic features
2022 · David Adrian Saez, Stefan Vogt-Geisse, et al. · Organic & Biomolecular Chemistry · 3
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Electrostatic and geometric control of hydride transfer stereoselectivity in bridged pterins: A computational study
2026 · Cesar Oporto-Duhart, Nery Villegas-Escobar, et al. · Computational and Theoretical Chemistry
Electrostatic and Geometric Control of Hydride Transfer Stereoselectivity in Bridged Pterins: A Computational Study
2026 · Saez, David Adrian · Zenodo (CERN European Organization for Nuclear Research)
Strain within N5,N10-bridged tetrahydropterins influences stereochemistry of hydride transfer
2025 · Cesar Oporto-Duhart, Nery Villegas-Escobar, et al. · ChemRxiv
Hydride Transfer Stereospecificity in Methenyl-Tetrahydromethanopterin: Donor-Dependent Effects
2024 · Cesar Oporto-Duhart, Nery Villegas-Escobar, et al. · ChemRxiv
Coordinates and output files for stationary points determined for the reaction between 1,4-ditrimethylsilyl-1,4-dihydropyridine and unsaturated nitriles.
2022 · Saez, David Adrian, Vogt-Geisse, Stefan, et al. · Zenodo (CERN European Organization for Nuclear Research)
Atom Condensed Fukui Function for Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide
2019 · Javier Oller, David A. Sáez, et al. · ChemRxiv
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Catalytic Reaction Mechanism in Native and Mutant COMT from the Adaptive String Method and Mean Reaction Force Analysis.
2018 · David Adrian Saez, Kirill Zinovjev, et al. · ChemRxiv
Works count: 20
Citation count: 246
H-index: 8
I10-index: 8
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