Researh & development

Computational Biophysics Lab

Research Head: Raul Araya Secchi 

National Collaborations

  • Dr. Rodrigo Diaz Espinoza (University de Santiago, Chile)
  • Dr. Víctor Castro Fernández (University de Chile, Chile)
  • Dr. Víctor Diaz García (Universidad San Sebastian, Chile) 

Internationals Collaborations

  • Dr. Marcos Sotomayor (The Ohio State University, USA)
  • Dr. Birthe Kragelund (University of Copenhagen, Denmark)
  • Dr. Alessandra Luchini (European Spallation Source, Sweden)


Lagos, C. F. et al. Molecular modeling and dynamics of Trypanosoma cruzi glutamate cysteine ligase interactions with glutathione. F1000Res 2, (2011).

Araya-Secchi, R., Garate, J. A., Holmes, D. S. & Perez-Acle, T. Molecular dynamics study of the archaeal aquaporin AqpM. in BMC genomics vol. 12 1–13 (2011).

Lagos, C. F. et al. Molecular modeling of Trypanosoma cruzi glutamate cysteine ligase and investigation of its interactions with glutathione. J Mol Model 18, 2055–2064 (2012).

Kang, S. et al. Dual inhibitory pathways of metallofullerenol Gd@ C82 (OH) 22 on matrix metalloproteinase-2: Molecular insight into drug-like nanomedicine. Sci Rep 4, 1–8 (2014).

Araya-Secchi, R. et al. Characterization of a novel water pocket inside the human Cx26 hemichannel structure. Biophys J 107, 599–612 (2014).

Escalona, Y. et al. Exploring the membrane potential of simple dual-membrane systems as models for gap-junction channels. Biophys J 110, 2678–2688 (2016).

Araya-Secchi, R., Neel, B. L. & Sotomayor, M. An elastic element in the protocadherin-15 tip link of the inner ear. Nat Commun 7, 1–14 (2016).

De-la-Torre, P., Choudhary, D., Araya-Secchi, R., Narui, Y. & Sotomayor, M. A mechanically weak extracellular membrane-adjacent domain induces dimerization of protocadherin-15. Biophys J 115, 2368–2385 (2018).

Park, M. S. et al. Multidomain convergence of Argonaute during RISC assembly correlates with the formation of internal water clusters. Mol Cell 75, 725–740 (2019).

Choudhary, D. et al. Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception. Proceedings of the National Academy of Sciences 117, 24837–24848 (2020).

Hendus-Altenburger, R. et al.The intracellular lipid-binding domain of human Na+/H+ exchanger 1 forms a lipid-protein co-structure essential for activity. Commun Biol 3, 1–18 (2020).

Kassem, N. et al. Order and disorder—An integrative structure of the full-length human growth hormone receptor. Science Advances 7, eabh3805 (2021).

Castillo-Caceres, C. et al. Functional characterization of the ATPase-like activity displayed by a catalytic amyloid. Biochimica et Biophysica Acta (BBA)-General Subjects 1865, 129729 (2021).

Neel, B. L., Nisler, C. R., Walujkar, S., Araya-Secchi, R. & Sotomayor, M. Collective mechanical responses of cadherin-based adhesive junctions as predicted by simulations. Biophysical Journal 121, 991–1012 (2022).

Neel, B. L., Nisler, C. R., Walujkar, S., Araya-Secchi, R. & Sotomayor, M. Elastic versus brittle mechanical responses predicted for dimeric cadherin complexes. Biophysical Journal 121, 1013–1028 (2022).

Luchini, A. et al. Structural model of tissue factor (TF) and TF-factor VIIa complex in a lipid membrane: A combined experimental and computational study. Journal of Colloid and Interface Science (2022).

Principal investigator

Raul Araya Secchi