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Jesús Ignacio Mendieta Moreno
Postdoctoral ResearcherFirst-principles Atomistic Simulation TechniquesBiographical Info
- PhD. Universidad Autónoma de Madrid 2018.
- Master degree in Biophysics, Universidad Autónoma de Madrid 2011.
- Physics degree, Universidad Autónoma de Madrid 2010.
Research Interests
- Biophysics.
- DFT simulation.
- MD simulations.
- Computational Biology.
- Structural Biology.
Relevant/Recent Publications
- Mendieta-Moreno, J.I., Walker, R., Lewis, J., Gómez-Puertas, P., Mendieta, J. & Ortega, J, FIREBALL/AMBER: An efficient local-orbital DFT QM/MM method for biomolecular systems. Journal of Chemical Theory and Computation 10, 2185–2193, (2014). [URL]
- Martín-García, F., Mendieta-Moreno, J.I., Marcos-Alcalde, I, Gómez-Puertas, P. & Mendieta, J, Simulation of catalytic water activation in mitochondrial F1-ATPase using a hybrid quantum mechanics/molecular mechanics approach: An alternative role for ß-Glu 188. Biochemistry 52, 959-966, (2013). [URL]
- Martín-García, F., Salvarelli, E., Mendieta-Moreno, J.I., Vicente, M., Mingorance, J., Mendieta, J. & Gómez-Puertas, P, Molecular dynamics simulation of GTPase activity in polymers of the cell division protein FtsZ. FEBS Letters 586, 1236–1239, (2012). [URL]
- Martín-García, F., Mendieta-Moreno, J.I., Mendieta, J. & Gómez-Puertas, P, Molecular dynamics analysis of conformational change of paramyxovirus F protein during the initial steps of membrane fusion. Biochemical and Biophysical Research Communications 420, 42-47, (2012). [URL]
- Martín-García, F., Mendieta-Moreno, J.I., López-Viñas, E., Gómez-Puertas, P. & Mendieta, J, The Role of Gln(61) in HRas GTP Hydrolysis: A Quantum Mechanics/Molecular Mechanics Study. Biophysical Journal 102, 152-157, (2012). [URL]