| Water catalysis of a radical-molecule gas-phase reaction E Vöhringer-Martinez, B Hansmann, H Hernandez, JS Francisco, J Troe, ... Science 315 (5811), 497-501, 2007 | 355 | 2007 |
| Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes F Heidar-Zadeh, PW Ayers, T Verstraelen, I Vinogradov, ... The Journal of Physical Chemistry A 122 (17), 4219-4245, 2017 | 138 | 2017 |
| An explicit approach to conceptual density functional theory descriptors of arbitrary order F Heidar-Zadeh, M Richer, S Fias, RA Miranda-Quintana, M Chan, ... Chemical Physics Letters 660, 307-312, 2016 | 66 | 2016 |
| Primary steps of ph-dependent insulin aggregation kinetics are governed by conformational flexibility. J Haas, E Vöhringer-Martinez, A Bögehold, D Matthes, U Hensen, ... ChemBioChem 10 (11), 1816-1822, 2009 | 56 | 2009 |
| Hydration free energies in the FreeSolv database calculated with polarized iterative Hirshfeld charges M Riquelme, A Lara, DL Mobley, T Verstraelen, AR Matamala, ... Journal of chemical information and modeling 58 (9), 1779-1797, 2018 | 54 | 2018 |
| Hydration free energies in the FreeSolv database calculated with polarized iterative Hirshfeld charges M Riquelme, A Lara, DL Mobley, T Verstraelen, AR Matamala, ... Journal of chemical information and modeling 58 (9), 1779-1797, 2018 | 54 | 2018 |
| Four amino acids define the CO2 binding pocket of enoyl-CoA carboxylases/reductases GMM Stoffel, DA Saez, H DeMirci, B Vögeli, Y Rao, J Zarzycki, ... Proceedings of the National Academy of Sciences 116 (28), 13964-13969, 2019 | 53 | 2019 |
| Charge separation and isolation in strong water droplet impacts F Wiederschein, E Vöhringer-Martinez, A Beinsen, F Postberg, J Schmidt, ... Physical Chemistry Chemical Physics 17 (10), 6858-6864, 2015 | 44 | 2015 |
| Role of water complexes in the reaction of propionaldehyde with OH radicals E Vohringer-Martinez, E Tellbach, M Liessmann, B Abel The Journal of Physical Chemistry A 114 (36), 9720-9724, 2010 | 41 | 2010 |
| Characterizing the mechanism of the double proton transfer in the formamide dimer JC Hargis, E Vöhringer-Martinez, HL Woodcock, A Toro-Labbé, ... The Journal of Physical Chemistry A 115 (12), 2650-2657, 2011 | 40 | 2011 |
| Insights on the mechanism of proton transfer reactions in amino acids F Duarte, E Vöhringer-Martinez, A Toro-Labbé Physical Chemistry Chemical Physics 13 (17), 7773-7782, 2011 | 39 | 2011 |
| Ultrafast phase transitions in metastable water near liquid interfaces O Link, E Vöhringer-Martinez, E Lugovoj, Y Liu, K Siefermann, M Faubel, ... Faraday discussions 141, 67-79, 2009 | 37 | 2009 |
| IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files T Verstraelen, W Adams, L Pujal, A Tehrani, BD Kelly, L Macaya, F Meng, ... Journal of Computational Chemistry 42 (6), 458-464, 2021 | 35 | 2021 |
| Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency N Horikoshi, S Hwang, C Gati, T Matsui, C Castillo-Orellana, AG Raub, ... Proceedings of the National Academy of Sciences 118 (4), e2022790118, 2021 | 31 | 2021 |
| Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases I Bernhardsgrütter, K Schell, DM Peter, F Borjian, DA Saez, ... Journal of the American Chemical Society 141 (25), 9778-9782, 2019 | 31 | 2019 |
| How does Pin1 catalyze the cis–trans prolyl peptide bond isomerization? A QM/MM and mean reaction force study E Vöhringer-Martinez, F Duarte, A Toro-Labbé The Journal of Physical Chemistry B 116 (43), 12972-12979, 2012 | 31 | 2012 |
| A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation DA Saez, E Vöhringer-Martinez Journal of computer-aided molecular design 29 (10), 951-961, 2015 | 30 | 2015 |
| High level ab initio binding energy distribution of molecules on interstellar ices: Hydrogen fluoride G Bovolenta, S Bovino, E Vöhringer-Martinez, DA Saez, T Grassi, ... Molecular Astrophysics 21, 100095, 2020 | 29 | 2020 |
| Global and local reactivity descriptors based on quadratic and linear energy models for α,β‐unsaturated organic compounds J Oller, P Pérez, PW Ayers, E Vöhringer‐Martinez International Journal of Quantum Chemistry 118 (20), e25706, 2018 | 29 | 2018 |
| Understanding the Physics and Chemistry of Reaction Mechanisms from Atomic Contributions: A Reaction Force Perspective E Vöhringer-Martinez, A Toro-Labbé The Journal of Physical Chemistry A 116 (27), 7419-7423, 2012 | 25 | 2012 |
