Laura Orellana




My research focuses in the relationship between the structure, the dynamics and the function of proteins, and how this interplay is perturbed causing disease.


I have a interdisciplinary background in Medicine, Biochemistry and Physics. I studied Medicine and Biochemistry (minor in Physics) at the University of Barcelona and the Clinic Hospital, followed by two master degrees, in Protein Structure and Function and in Biophysics. I have recently finished my PhD in Biophysics at the Joint Program in Computational Biology between the Institute for Research in Biomedicine and the Barcelona Supercomputing Center. During my PhD I have developed coarse-grained methods such as Elastic Network Models and Langevin Dynamics, and applied them with Molecular Dynamics (MD) simulations to understand protein dynamics and function.



• Orellana L., Yoluk O., Carrillo O.,Orozco M., Lindahl E. “Prediction and validation of protein intermediate states from structurally-rich ensembles and coarse-grained simulations”. Nature Communications (2016), 7:12575, doi: 10.1038/ncomms12575

• Orellana L., Hospital A., Orozco M. “Oncogenic mutations of the EGF-Receptor ectodomain reveal an unexpected mechanism for ligand-independent activation”. biorXiv (2014), doi:

• Fenwick R.B.*,Orellana L.*, Esteban-Martin S., Salvatella X., Orozco M. “Correlated motions are a fundamental property of β-sheets”. Nature Communications (2014), 5: 4070, doi: 10.1038/ncomms5070 *Equal contribution

• Sfriso P., Emperador A., Orellana L., Hospital A., Gelpí J.L., Orozco M. “Finding Conformational Transition Pathways from Discrete Molecular Dynamics Simulations”. J. Chem. Theory Comput. (2012), 8:p.4707 – 4718 ACS

• Orozco M., Orellana L., Hospital A., Naganathan A.N., Emperador A., Carrillo O. and Gelpí J.L.. (2010) Coarse Grained Representation of Protein Flexibility. Foundations, successes and shortcomings. In “Computational Chemistry Methods in Structural Biology”. Advances in Protein Chemistry and Structural Biology, vol 80. Ed. C.Christov. Elsevier. PubMed

• Orellana L., Rueda M., Ferrer-Costa C., López-Blanco J.R., Chacón P. and Orozco M. “Approaching Elastic Network Models to Molecular Dynamics Flexibility” J. Chem. Theory Comput. (2010) 6: p2910–2923 (Cover Paper: JCTC September 14, 2010 )

• Camps J., Carrillo O., Emperador A., Orellana L., Hospital A., Rueda M., Gelpi JL. & Orozco M. “FlexServ: An integrative tool for the Analysis of protein Flexibility” Bioinformatics (2009) 25 (1): p1709–1710. PubMed


PhD Thesis


Orellana L. “Protein Dynamics studied by coarse-grained and atomistic theoretical approaches” University of Barcelona, Department of Fundamental Physics (2014) [download]



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