| Characterization of a novel water pocket inside the human Cx26 hemichannel structure R Araya-Secchi, T Perez-Acle, S Kang, T Huynh, A Bernardin, Y Escalona, ... Biophysical journal 107 (3), 599-612, 2014 | 43 | 2014 |
| Vienna soil organic matter modeler 2 (VSOMM2) Y Escalona, D Petrov, C Oostenbrink Journal of Molecular Graphics and Modelling 103, 107817, 2021 | 29 | 2021 |
| Soil organic matter stabilization at molecular scale: The role of metal cations and hydrogen bonds E Galicia-Andrés, Y Escalona, C Oostenbrink, D Tunega, MH Gerzabek Geoderma 401, 115237, 2021 | 27 | 2021 |
| Accessing gap-junction channel structure-function relationships through molecular modeling and simulations F Villanelo, Y Escalona, C Pareja-Barrueto, JA Garate, IM Skerrett, ... BMC Cell Biology 18, 1-15, 2017 | 20 | 2017 |
| On biophysical properties and sensitivity to gap junction blockers of connexin 39 hemichannels expressed in HeLa cells AA Vargas, BA Cisterna, F Saavedra-Leiva, C Urrutia, LA Cea, AH Vielma, ... Frontiers in Physiology 8, 38, 2017 | 17 | 2017 |
| Modeling soil organic matter: Changes in macroscopic properties due to microscopic changes Y Escalona, D Petrov, C Oostenbrink Geochimica et Cosmochimica Acta 307, 228-241, 2021 | 15 | 2021 |
| Exploring the membrane potential of simple dual-membrane systems as models for gap-junction channels Y Escalona, JA Garate, R Araya-Secchi, T Huynh, R Zhou, T Perez-Acle Biophysical Journal 110 (12), 2678-2688, 2016 | 14 | 2016 |
| Exploring the structure and dynamics of proteins in soil organic matter M Gotsmy, Y Escalona, C Oostenbrink, D Petrov Proteins: Structure, Function, and Bioinformatics 89 (8), 925-936, 2021 | 11 | 2021 |
| Orientational and folding thermodynamics via electric dipole moment restraining JA Garate, A Bernardin, Y Escalona, C Yanez, NJ English, T Perez-Acle The Journal of Physical Chemistry B 123 (12), 2599-2608, 2019 | 6 | 2019 |
| Tryptophan scanning reveals dense packing of connexin transmembrane domains in gap junction channels composed of connexin32 MJ Brennan, J Karcz, NR Vaughn, Y Woolwine-Cunningham, ... Journal of Biological Chemistry 290 (28), 17074-17084, 2015 | 6 | 2015 |
| Exploring the Macroscopic Properties of Humic Substances Using Modeling and Molecular Simulations Y Escalona, D Petrov, E Galicia-Andrés, C Oostenbrink Agronomy 13 (4), 1044, 2023 | 4 | 2023 |
| On the effects of induced polarizability at the water–graphene interface via classical charge-on-spring models Y Escalona, N Espinoza, M Barria-Urenda, C Oostenbrink, JA Garate Physical Chemistry Chemical Physics 24 (13), 7748-7758, 2022 | 4 | 2022 |
| Exploring the membrane potential of a simple dual membrane system by using a constant electric field Y Escalona, JA Garate, T Perez-Acle BMC Bioinformatics 16 (Suppl 8), A5, 2015 | 2 | 2015 |
| Insights into the Binding Mode of Lipid A to the Anti-lipopolysaccharide Factor ALFPm3 from Penaeus monodon: An In Silico Study through MD Simulations C González-Fernández, C Öhlknecht, M Diem, Y Escalona, E Bringas, ... Journal of Chemical Information and Modeling 63 (8), 2495-2504, 2023 | | 2023 |
| Molecular Dynamics Simulations up to Earth: Modeling of Soil Organic Matter E Galicia–Andrés, Y Escalona, M Gotsmy, C Oostenbrink, D Petrov Elsevier, 2023 | | 2023 |
| Exploring macroscopic properties of soil organic matter using modeling and molecular simulations D Petrov, Y Escalona, E Galicia, D Tunega, M Gerzabek, C Oostenbrink EGU General Assembly Conference Abstracts, EGU22-7504, 2022 | | 2022 |
| A molecular dynamic study of Soil Organic Matter stabilization mechanisms E Galicia-Andrés, Y Escalona, P Grančič, C Oostenbrink, D Tunega, ... EGU General Assembly Conference Abstracts, EGU21-2486, 2021 | | 2021 |
| Is there a voltage-controlled hydraulic gating mechanism in human Connexin Hemichannels? C Pareja, T Perez-Acle, Y Escalona, JA Garate, A Bernardin, A Martınez, ... | | |
