Associate Project Scientist and Lecturer, Chemistry
School of Physical Sciences

Theoretical and Computational Physical Chemistry and Biophysics

I am interested on the application of computational and theoretical methods to the study of structure, dynamics and function of biomolecules and the self-assembly of soft matter. The overall goal of my research work is to provide molecular level insights into biological and biologically inspired phenomena. I work closely with experimentalists to both validate our molecular modeling results and suggest new avenues of inquiry.

Selected/Recent

Freites, J.A., Tobias, D.J. (2024), Molecular Dynamics Simulations of the Eye Lens Water Channel Aquaporin 0 from Fish, J. Phys. Chem. B, 127, 7577. DOI: 10.1021/acs.jpcb.4c03015

Freites, J.A., Louis, M.N., Tobias, D.J. (2023), Insights into the solubility of γD-crystallin from multiscale atomistic simulations. J. Comput. Chem., 44, 1658. DOI: 10.1002/jcc.27116

Geragotelis, A.D., Freites, J.A., Tobias, D.J. (2021) Anomalous Diffusion of Peripheral Membrane Signaling Proteins from All-Atom Molecular Dynamics Simulations, J. Phys. Chem. B, 125, 9990. DOI: 10.1021/acs.jpcb.1c04905

Geragotelis, A.D., Wood, M.L., Göddeke, H., Hong, L., Webster, P.D., Wong, E.K., Freites, J.A.,Tombola, F., Tobias, D.J. (2020) Voltage-dependent structural models of the human Hv1 proton channel from long-timescale molecular dynamics simulations, Proc. Natl. Acad. Sci. U.S.A., 117, 13490. DOI: 10.1073/pnas.1920943117

Freites, J.A., Németh-Cahalan, K.L., Hall, J.E., Tobias, D.J. (2019) Cooperativity and allostery in aquaporin 0 regulation by Ca²⁺, Biochim. Biophys. Acta, Biomembr., 1861, 988. DOI: 10.1016/j.bbamem.2019.02.007

Link to this profile
https://faculty.uci.edu/profile/?facultyId=7058

Last updated
09/01/2024