Department of Applied Physics
KTH Royal Institute of Technology
Project: Membrane Protein Modeling
I am a Computational Chemist studying the allosterics and lipid interactions of the bacterial membrane channel KcsA and in the human dopamine receptor at the lab of prof. Lucie Delemotte. I did my bachelor studies in Chemistry at the University of Seville (Spain). I got my master’s degree at the Universidad Autónoma de Madrid in Theoretical Chemistry and Computational Modeling. During my PhD thesis I studied computationally the properties of actinide cations in water and clays by running molecular dynamics simulations and developing ab initio force fields. This work was done at the University of Seville under the supervision of prof. Enrique Sánchez Marcos and prof. José Manuel Martínez. During my thesis I did a six month stay in the Parrinello group at Lugano (Switzerland) where we developed a simple hydrophobicity/hydrophillicity fingerprint that could be used as a CV in enhanced sampling simulations. For more detailed information visit my linkedin.
- Postoctoral Researcher, SciLifeLab (KTH), Stockholm (2019-current)
- PhD in Theoretical Chemistry, Universidad de Sevilla, Spain (2019)
- Master’s degree in Theoretical Chemistry and Computational Modeling, Universidad Autónoma de Madrid, Spain (2015)
- Bachelor’s degree in Chemistry, Universidad de Sevilla, Spain (2013)
- Erasmus Programme exchange, University of York (2013)
Informing NMR experiments with molecular dynamics simulations to characterize the dominant activated state of the KcsA ion channel Pérez-Conesa, S., Keeler, E. G., Zhang, D., Delemotte, L., & McDermott, A. E. (2021). The Journal of Chemical Physics, 154(16), 165102.
Network analysis reveals how lipids and other cofactors influence membrane protein allostery Westerlund, A. M., Fleetwood, O., Perez-Conesa, S., & Delemotte, L. (2020). The Journal of Chemical Physics, 153(14), 141103.