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José Antonio Gárate Chateau

Profesor Asistente

Universidad de Valparaíso

Valaparaiso, Chile

Free-energy calculations Molecular Dynamics Statistical mechanics Nanopores Bionano interactions Membrane Channels

molecular biotehcnology engineering, UNIVERSIDAD DE CHILE. Chile, 2005
molecular biotechnology engineering, UNIVERSIDAD DE CHILE. Chile, 2007
Bioprocess Engineering, University College dublin. Chile, 2011

post-doc Full Time

University of Natural Resources, Vienna

vienna, Austria

2011 - 2013
Post-Doc Full Time

Fundación Ciencia & Vida

santiago, Chile

2013 - 2017

Profesor Asistente Full Time

Fundación Ciencia & Vida

Santiago, Chile

2016 - 2017
Profesor Asistente Full Time

Universidad de Valparaiso

Valparaiso, Chile

2018 - At present

Thanks to my research experience abroad, I currently have collaborations with renowned researchers in Europe and the USA. Examples are Dr. Niall English of the School of Bioprocess Engineering of the University College Dublin, Prof. Chris Ooestenbrink from the University of Natural Resources, Vienna, Austria and Dr. Ruhong Zhu from the Computational Biology Center IBM Thomas J. Watson Research Center, New York. These have resulted in various scientific publications (please refer to my CV) and several research visits in the last years.


Multiscale molecular dynamics simulations identify SNX-482/KV4.3 binding determinants mellado; G.; Saavedra; J.; Lincolao-Venegas; I.; Garate; J.A.; Neely; Å Article ISI SCOPUS Biophysical Journal (2025)
Protein-mediated electroporation: Pore formation in a calcium voltage-sensing domain induced by positive and negative nanosecond pulsed electric fields Ruiz-Fernandez, Alvaro; Gallo-Mendez, Ivan; Campos, Leonardo; Ceballos-Ulloa, Fabian; Barria-Urenda, Mateo; Garate, Jose Antonio; Araya-Secchi, Raul; PÉREZ-ACLE, TOMÁS Article ISI SCOPUS Protein Science (2025)
Regulation of voltage-sensing structures of CaV1.2 calcium channel by the auxiliary β3-subunit De Giorgis D.; Mellado G.; Garate J.A.; Neely A. Article ISI (2025)
Membrane tension-dependent conformational change of Isoleucine 106 of loop B diminishes water permeability in FaPIP2;1 Caviglia A.; Espinoza-Muñoz, N; Alvear-Arias J.J.; Galizia, L; Guastaferri, F; Zimmermann R.; Sigaut, L; Amodeo G.; González, C.; Ozu M.; et al. Article ISI SCOPUS PROTEIN SCIENCE (2024)
Trapping Charge Mechanism in Hv1 Channels (CiHv1) Carrillo, Christian; Pena-Pichicoi, Antonio; Hernandez-Ochoa, Erick O.; Neely, Alan; Alvarez, Osvaldo Article ISI SCOPUS International Journal of Molecular Sciences (2024)
In silico approaches to develop new phenyl-pyrimidines as glycogen synthase kinase 3 (GSK-3) inhibitors with halogen-bonding capabilities: 3D-QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies Garate, Jose Antonio; Morales, Cesar; Mella, Jaime Article ISI SCOPUS Journal of Biomolecular Structure and Dynamics (2023)
N-terminal region is responsible for mHv1 channel activity in MDSCs Pena-Pichicoi A.; Fernández, M; Navarro-Quezada N.; Alvear-Arias J.J.; Carrillo, CA; Carmona E.M.; Garate J.; Lopez-Rodriguez, AM; Neely A.; Hernández-Ochoa, EO; et al. Article ISI SCOPUS Frontiers in Pharmacology (2023)
Size Matters: Free-Energy Calculations of Amino Acid Adsorption over Pristine Graphene Barria-Urenda, Mateo; Ruiz-Fernandez, Alvaro; Gonzalez, Carlos; Oostenbrink, Chris; Garate, Jose Antonio Article ISI SCOPUS Journal of Chemical Information and Modeling (2023)
On the effects of induced polarizability at the water-graphene interface via classical charge-on-spring models Escalona, Yerko; Barria-Urenda, Mateo; Oostenbrink, Chris; Garate, Jose Antonio Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Simulations on Simple Models of Connexin Hemichannels Indicate That Ca2+ Blocking Is Not a Pure Electrostatic Effect Jensen-Flores, Joaquin; Garate, Jose Antonio Article ISI SCOPUS Membranes (2021)
The voltage sensor is responsible for ApH dependence in Hv1 channels Alvear-Arias, Juan J; Neely, Alan; Larsson, H. Peter; Alvarez, Osvaldo; Garate, Jose Antonio Article ISI SCOPUS Proceedings of the National Academy of Sciences of the United States of America (2021)
Entropy deepens loading chemical potentials of small alcohols by narrow carbon nanotubes Barria-Urenda, Mateo; GARATE-CHATEAU, JOSE ANTONIO Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Controlling ionic conductivity through transprotein electropores in human aquaporin 4: a non- equilibrium molecular- dynamics study Garate J.A.; Apollonio, F; English, NJ Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Orientational and Folding Thermodynamics via Electric Dipole Moment Restraining Garate, Jose Antonio; Bernardin, Alejandro; Escalona, Yerko; Yañez, Carlos; English, Niall Joseph Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Disaccharide-Based Anionic Amphiphiles as Potent Inhibitors of Lipopolysaccharide-Induced Inflammation Borio A.; Holgado A.; Beyaert R.; Heine H.; Zamyatina A. Article ISI SCOPUS ChemMedChem (2018)
Human aquaporin 4 gating dynamics under axially oriented electric-field impulses: A non-equilibrium molecular-dynamics study Ghaani M.R.; Apollonio, F Article ISI SCOPUS Journal of Chemical Physics (2018)
RIP-MD: a tool to study residue interaction networks in protein molecular dynamics Garate, Jose-Antonio Article ISI SCOPUS PeerJ (2018)
Transprotein-Electropore Characterization: A Molecular Dynamics Investigation on Human AQP4 Marracino P.; Bernardi M.; Liberti M.; Del Signore F.; Trapani E.; Burnham C.J.; Apollonio, F Article ISI SCOPUS ACS Omega (2018)
Accessing gap-junction channel structure-function relationships through molecular modeling and simulations Pareja-Barrueto C.; Garate, J. -A.; Skerrett, I. M. Article ISI SCOPUS BMC CELL BIOLOGY (2017)
Accessing the structural and thermodynamic properties of ultra-thin layers of C32 adsorbed on a SiO2 surface Article ISI SCOPUS Chemical Physics Letters (2017)
From dimers to collective dipoles: Structure and dynamics of methanol/ethanol partition by narrow carbon nanotubes Garate J.A.; Perez-Acle T. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2016)
Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study Marracino, Paolo; Liberti, Micaela; Trapani, Erika; Burnham, Christian; Avena, Massimiliano; Apollonio, Francesca; English, Niall Article ISI SCOPUS INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2016)
Anti-endotoxic activity and structural basis for human MD-2· TLR4 antagonism of tetraacylated lipid A mimetics based on βGlcN (1↔ 1) αGlcN scaffold Jose Antonio Garate, Johannes Stöckl, María del Carmen Fernández-Alonso, Daniel Artner, Mira Haegman, Chris Oostenbrink, Jesus Jimenez-Barbero, Rudi Beyaert, Holger Heine, Paul Kosma, Alla Zamyatina Article INNATE IMMUNITY (2015)
Exploration of graphene oxide as an intelligent platform for cancer vaccines Hua Yue, Wei Wei, Zonglin Gu, Dezhi Ni, Nana Luo, Zaixing Yang, Lin Zhao, Jose Antonio Garate, Ruhong Zhou, Zhiguo Su, Guanghui Ma Article NANOSCALE (2015)
Protein corona mitigates the cytotoxicity of graphene oxide by reducing its physical interaction with cell membrane Guangxin Duan, Seung-gu Kang, Xin Tian, Jose Antonio Garate, Lin Zhao, Cuicui Ge, Ruhong Zhou Article NANOSCALE (2015)
Reduced Cytotoxicity of Graphene Nanosheets Mediated by Blood-Protein Coating Yu Chong, Cuicui Ge, Zaixing Yang, Jose Antonio Garate, Zonglin Gu, Jeffrey K. Weber, Jiajia Liu, and Ruhong Zhou Article ACS Nano (2015)
Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene Jiajia Liu1, a), Zaixing Yang1, a), Haotian Li2, Zonglin Gu1, Jose Antonio Garate3, and Ruhong Zhou Article JOURNAL OF CHEMICAL PHYSICS (2014)
Entropic and Enthalpic Contributions to Stereospecific Ligand Binding from Enhanced Sampling Methods Lai B; Nagy G.; Garate J.A.; Oostenbrink C. Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Conformationally Constrained Lipid A Mimetics for Exploration of Structural Basis of TLR4/MD-2 Activation by Lipopolysaccharide Daniel Artner†, Alja Oblak, Simon Itti, Jose Antonio Garate, Simon Horvat, Cécile Arrieumerlo, Andreas Hofinger, Chris Oostenbrink, Roman Jerala, Paul Kosma, and Alla Zamyatina Article ACS CHEMICAL BIOLOGY (2013)
Controlled semiconductor nanorod assembly from solution: influence of concentration, charge and solvent nature Singh, Ajay; Gunning, Robert D.; Ahmed, Shafaat; Barrett, Christopher A.; English, Niall J.; Garate, Jose-Antonio; Ryan, Kevin M. Article ISI JOURNAL OF MATERIALS CHEMISTRY (2012)
Diffusion and interactions of carbon dioxide and oxygen in the vicinity of the active site of Rubisco: Molecular dynamics and quantum chemical studies Morad M El-Hendawy, José-Antonio Garate, Niall J English, Stephen O’Reilly, Damian A Mooney Article JOURNAL OF CHEMICAL PHYSICS (2012)
Lipid a from lipopolysaccharide recognition: Structure, dynamics and cooperativity by molecular dynamics simulations Jose Antonio Garate Chris Oostenbrink Article PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2012)
Electrophoretic Deposition of Poly(3-decylthiophene) onto Gold-Mounted Cadmium Selenide Nanorods José-Antonio Garate†, Niall J. English*†‡, Ajay Singh§, Kevin M. Ryan§, Damian A. Mooney†‡, and J. M. D. MacElroy†‡ Article LANGMUIR (2011)
Molecular dynamics study of the archaeal aquaporin AqpM Araya-Secchi R.; Perez-Acle T. Article ISI SCOPUS BMC GENOMICS (2011)
Aggregation of Alcohols Ethoxylates in n-Heptane Garate J.A.; Valenzuela, MDLA; Olea A.F. Article ISI SCOPUS Journal of Surfactants and Detergents (2009)
Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes ,Garate, Jose Antonio; English Niall, MacElroy J.M.D Article JOURNAL OF CHEMICAL PHYSICS (2009)
An eleven amino acid residue deletion expands the substrate specificity of acetyl xylan esterase II (AXE II) from Penicillium purpurogenum Colombres M.; Garate J.A.; Lagos C.F.; Araya-Secchi R.; Norambuena P.; Quiroz S.; Larrondo, L; Perez-Acle T.; Eyzaguirre, J Article ISI SCOPUS JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2008)
Carbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields Garate, Jose Antonio, English Niall, MAclroy Jho Article MOLECULAR SIMULATION (2008)
Computational modeling study of functional microdomains in cannabinoid receptor type 1 Gonzalez, A; Duran, LS; Araya-Secchi R.; Garate J.A.; Pessoa-Mahana C.D.; Lagos C.F.; Perez-Acle T. Article ISI SCOPUS BIOORGANIC & MEDICINAL CHEMISTRY (2008)
Human aquaporin 4 gating dynamics in dc and ac electric fields: A molecular dynamics study Garate, Jose Antonio; English Niall;MacElroy J.M.D. Article JOURNAL OF CHEMICAL PHYSICS


The thermodynamics of nanoconfinement in synthetic and biological channels: from structure to function Jose Antonio Garate Chateau Proyecto (2022)
Nucleus in NanoBioPhysics Jose Antonio Garate Chateau; Valeria del Campo; NATALIA HASSAN-LOPEZ; Berríos, Eduardo Proyecto (2021)
Inserción de académico con línea de investigación en área de la simulación molecular y nanotoxicidad Alan Neelly Proyecto (2018)
Molecular mechanisms at the nano-bio interface: applications and biohazards Jose Antonio Garate; Ulrich Volkman Proyecto (2018)