| 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 | 289 | 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 | 48 | 2017 |
| 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 | 37 | 2009 |
| 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 | 34 | 2011 |
| 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 | 33 | 2010 |
| 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 | 31 | 2009 |
| 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 | 30 | 2016 |
| 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 | 29 | 2011 |
| 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 | 28 | 2012 |
| The role of water in the proton transfer reaction mechanism in tryptophan E Vöhringer‐Martinez, A Toro‐Labbé Journal of computational chemistry 31 (14), 2642-2649, 2010 | 25 | 2010 |
| 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 | 21 | 2018 |
| Hydration Free Energies of Organic Molecules in the FreeSolv Database Calculated with Polarized Atom In Molecules Atomic Charges and the GAFF Force Field. M Riquelme, A Lara, DL Mobley, T Verstraelen, AR Matamala, ... ChemRxiv, 2018 | 21* | 2018 |
| Computational Study of the Binding Modes of Caffeine to the Adenosine A2A Receptor Y Liu, SK Burger, PW Ayers, E Vöhringer-Martinez The Journal of Physical Chemistry B 115 (47), 13880-13890, 2011 | 21 | 2011 |
| The influence of Ser-154, Cys-113, and the phosphorylated threonine residue on the catalytic reaction mechanism of Pin1 E Vöhringer-Martinez, T Verstraelen, PW Ayers The Journal of Physical Chemistry B 118 (33), 9871-9880, 2014 | 19 | 2014 |
| 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 | 18 | 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 | 17 | 2015 |
| 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 | 15 | 2015 |
| 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, 201901471, 2019 | 14 | 2019 |
| Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy E Vöhringer-Martinez, O Link, E Lugovoy, KR Siefermann, ... Physical Chemistry Chemical Physics 16 (36), 19365-19375, 2014 | 14 | 2014 |
| The mean reaction force: a method to study the influence of the environment on reaction mechanisms E Vöhringer-Martinez, A Toro-Labbé The Journal of chemical physics 135 (6), 064505, 2011 | 14 | 2011 |
