April 22, 2015

Molecular Biophysics & Bionformatics Group

Daniel Aguayo Villegas

Research Professor  
+56-2-770 3611


As a part of the Center for Bioinformatics and Integrative Biology, the Molecular Biophysics and Bioinformatics Group is a interdisciplinary group whose main objective is to develop research strategies to answer biological questions — but not limited to — combining theoretical and experimental approaches at the interface of bioinformatics and biophysics.

Nowadays, our group main research area is to describe the interaction between bacterial membranes and antimicrobial molecules with the final objective of developing new strategies against antimicrobial resistance. To achieve this objective, our group combines Molecular Simulations methods with Biophysical and Biological Assays using Lipopolyssacharides of genetically modified bacteria.

More than a Lab! a Virtual Space for Integrative Science, the integrative focus of our group offers an iterative cycle of research, in which biological problems are tackled using a variety of theoretical and experimental approaches, based in the observation, systems characterization, parametrization, simulation and experimental validation.

This  cycle requires a group of expertise’s, with strong knowledge on biochemistry, biophysics, bioinformatics, computational chemistry, chemistry, among others. Our group try to cover all this fields, which allows us not to be limited to be a place for experiments, but a virtual space to gather people or use equipments to solve every day problems and answer scientific questions.



A method for characterizing the thermal stability and antimicrobial binding to Lipopolysaccharides of Gram-negative isogenic mutant strainsNavarro, B., Alarcón, M., Osees, M., ...Opazo, M.C., Aguayo, D.MethodsX. 2021. DOI. 10.1016/j.mex.2021.101474


l-Malate (-2) Protonation State is Required for Efficient Decarboxylation to l-Lactate by the Malolactic Enzyme of Oenococcus oeniAcevedo, W., Cañón, P., Gómez-Alvear, F., Huerta, J., Aguayo, D . & AgosinMolecules. 2020. https://doi.org/10.3390/molecules25153431
Dynamin-2 R465W mutation induces long range perturbation in highly ordered oligomeric structuresHinostroza, F., Neely, A., Araya-Duran, I., Marabolí, V., Canan, J., Rojas, M., Aguayo , D ., Latorre, R., González-Nilo, F. D . & CárdenasScientific Reports.2020. DOI


Antiproliferative Benzoindazolequinones as Potential Cyclooxygenase-2 InhibitorsAurora Molinari, OrcID,Alfonso Oliva, Marlene Arismendi-Macuer, Leda Guzmán, Waldo Acevedo, Daniel Aguayo, Raúl Vinet, and Arturo San Feliciano.Molecules. 2019. doi.org/10.3390/molecules24122261


146Characterization and Salt Response in Recurrent Halotolerant Exiguobacterium sp. SH31 Isolated From Sediments of Salar de Huasco, Chilean AltiplanoDaniel Aguayo, at.:Frontier Microbiology. 2018. doi.org/10.3389/fmicb.2018.02228


105A comparative analysis of tellurite detoxification by members of the genus Shewanella.Valdivia-González M., Díaz-Vásquez W, Ruiz-León, Becerra A,  Aguayo D ,  Pérez-Donoso JM , Vásquez C. Archives of Microbiology. 2017. DOI: 10.1007/s00203-017-1438-2
93Construction of 6-thioguanine and 6-mercaptopurine carriers based on βcyclodextrins and gold nanoparticlesR.Sierpea, Michael Noyong, Ulrich Simond, D.Aguayo , J.Huertae, Marcelo J.Kogan, N.Yutronic.Carbohydrate Polymers. 2017. DOI: 10.1016/j.carbpol.2017.08.102
78Phosphoethanolamine addition to the Heptose I of the Lipopolysaccharide modifies the inner core structure and has an impact on the binding of Polymyxin B to the Escherichia coli outer membrane.Salazar J, Alarcón M, Huerta J, Navarro B,  Aguayo D.Archives of Biochemistry and Biophysics. 2017. DOI: 10.1016/j.abb.2017.03.008.


65beta 1-subunit-induced structural rearrangements of the Ca2+- and voltage-activated K+ (BK) channelCastillo JP., Sánchez-Rodríguez JE., Hyde HC., Zaelzer CA., Aguayo D., Sepúlveda RV., Luk LY., Kent SB., Gonzalez-Nilo FD., Bezanilla F., Latorre R.Proceedings of the National Academy of the Sciences of the United States of America. 2016. DOI: 10.1073/pnas.1606381113.
64Putative binding mode of Escherichia coli exopolyphosphatase and polyphosphates based on a hybrid in silico/biochemical approach.
Boetsch C., Aguayo-Villegas DR., Gonzalez-Nilo FD., Lisa ÁT., Beassoni PR.
Archives of Biochemistry Biophysics. 2016. DOI: 10.1016/j.abb.2016.07.005.


34Hydrophobic interaction between contiguous residues in the S6 transmembrane segment acts as a stimuli integration node in the BK channelWilly Carrasquel-Ursulaez, Gustavo F. Contreras, Romina V. Sepúlveda, Daniel Aguayo, Fernando González-Nilo, Carlos González, and Ramón LatorreJournal of Generel Physioloy. 2015.DOI: 10.1085/jgp.201411194.
30Hydrogen peroxide and hypochlorous acid influx through the major S. Typhimurium porin OmpD is affected by substitution of key residues of the channelAguayo D., Pacheco N., Morales EH., Collao B., Luraschi R., Cabezas C., Calderón P., González-Nilo F., Gil F., Calderón IL., Saavedra CP.Archives of Biochemistry and Biophysics. 2015, DOI: 10.1016/j.abb.2015.01.005.
12Phosphorylation at the N-terminal finger subdomain of a viral RNA-dependent RNA polymeraseS Hernández, D Figueroa, S Correa, A Díaz, D Aguayo, RA VillanuevaEn revision en Biochemical and Biophysical Research Communications. 2015. DOI: 10.1016/j.bbrc.2015.08.082.






2Insight into the Properties of Cardiolipin Containing Bilayers from Molecular Dynamics Simulations, Using a Hybrid All-Atom/United-Atom Force FieldAguayo, Daniel; Gonzalez-Nilo, Fernando D.; Chipot, Christophe.Journal of Chemical Theory and Computation. 2012. DOI: 10.1021/ct200849k.
1Insight into the Properties of Cardiolipin Containing Bilayers from Molecular Dynamics Simulations, Using a Hybrid All-Atom/United-Atom Force FieldAguayo, Daniel; Gonzalez-Nilo, Fernando D.; Chipot, Christophe.Journal of Chemical Theory and Computation. 2012. DOI: 10.1021/ct200849k