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Jesús Ignacio Mendieta Moreno

Postdoctoral ResearcherFirst-principles Atomistic Simulation Techniques
Module 5, Office 401.1, 4th floor Work Phone: +34 91 497 2672
Photo of Jesús Ignacio Mendieta Moreno

Biographical 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

  1. 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]
  2. 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]
  3. 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]
  4. 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]
  5. 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]
Categories: Postdoctoral Researchers
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