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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.


On the effects of induced polarizability at the water-graphene interface via classical charge-on-spring models Escalona, Yerko; Espinoza, Nicolas; Barria-Urenda, Mateo; Oostenbrink, Chris; Garate, Jose Antonio Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Simulations on Simple Models of Connexin Hemichannels Indicate That Ca2+ Blocking Is Not a Pure Electrostatic Effect Villanelo, Felipe; Carrasco, Jorge; Jensen-Flores, Joaquin; Garate, Jose Antonio; Perez-Acle, Tomas Article ISI MEMBRANES (2021)
The voltage sensor is responsible for ApH dependence in Hv1 channels Carmona, Emerson M.; Fernandez, Miguel; Alvear-Arias, Juan J.; Neely, Alan; Larsson, H. Peter; Alvarez, Osvaldo; Garate, Jose Antonio; Latorre, Ramon; Gonzalez, Carlos Article ISI 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 Mateo Barria-Urenda, Jose Antonio Garate Article PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Controlling ionic conductivity through transprotein electropores in human aquaporin 4: a non- equilibrium molecular- dynamics study Bernardi, M; Marracino, P; Liberti, M; Garate, JA; Burnham, CJ; 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; Perez-Acle, Tomas Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Disaccharide-Based Anionic Amphiphiles as Potent Inhibitors of Lipopolysaccharide-Induced Inflammation Borio A.; Holgado A.; Garate J.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 Bernardi M.; Marracino P.; Ghaani M.R.; Liberti M.; Del Signore F.; Burnham C.J.; GÃ¡rate J.-A.; Apollonio, F; English N.J. Article ISI SCOPUS Journal of Chemical Physics (2018)
RIP-MD: a tool to study residue interaction networks in protein molecular dynamics Contreras-Riquelme, Sebastián; Garate, Jose-Antonio; Perez-Acle, Tomas; Martin, Alberto J.M. 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.; GÃ¡rate J.-A.; Burnham C.J.; Apollonio, F; English N.J. Article ISI SCOPUS ACS Omega (2018)
Accessing gap-junction channel structure-function relationships through molecular modeling and simulations Villanelo, F.; Escalona, Y.; Pareja-Barrueto, C.; Garate, J. A.; Skerrett, I. M.; Perez-Acle, T. Article ISI SCOPUS BMC CELL BIOLOGY (2017)
Accessing the structural and thermodynamic properties of ultra-thin layers of C32 adsorbed on a SiO2 surface Gutierrez-Maldonado, Sebastian E.; Garate, Jose Antonio; Retamal, Maria Jose; Cisternas, Marcelo A.; Volkmann, Ulrich G.; Pérez-Acle, Tomás Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2017)
Exploring the Membrane Potential of Simple Dual-Membrane Systems as Models for Gap-Junction Channels. Escalona, Yerko; Garate, Jose A; Araya-Secchi, Raul; Huynh, Tien; Zhou, Ruhong; Perez-Acle, Tomas Article Biophysical journal (2016)
From dimers to collective dipoles: Structure and dynamics of methanol/ethanol partition by narrow carbon nanotubes Garate, JA; 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; Garate, José-Antonio; Apollonio, Francesca; English, Niall Article ISI SCOPUS INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2016)
Near-microsecond human aquaporin 4 gating dynamics in static and alternating external electric fields: Non-equilibrium molecular dynamics Niall J. English Jose-A Garate Article JOURNAL OF CHEMICAL PHYSICS (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)
Exploring the membrane potential of a simple dual membrane system by using a constant electric field Y Escalona, JA Garate, T Perez-Acle Article BMC Bioinformatics (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)
Characterization of a novel water pocket inside the human Cx26 hemichannel structure. Araya-Secchi, Raul; Perez-Acle, Tomas; Kang, Seung-Gu; Huynh, Tien; Bernardin, Alejandro; Escalona, Yerko; Garate, Jose-Antonio; Martínez, Agustin D; García, Isaac E; Sáez, Juan C; Zhou, Ruhong Article Biophysical journal (2014)
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, JA; Oostenbrink C Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
On the thermodynamics of carbon nanotube single-file water loading: free energy, energy and entropy calculations. Garate, Jose Antonio; Perez-Acle, Tomas; Oostenbrink, Chris Article Physical chemistry chemical physics : PCCP (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)
Free-energy differences between states with different conformational ensembles. Garate, Jose Antonio; Oostenbrink, Chris Article Journal of computational chemistry (2013)
Human aquaporin 4 gating dynamics under and after nanosecond-scale static and alternating electric-field impulses: a molecular dynamics study of field effects and relaxation. Reale, Riccardo; English, Niall J; Garate, José-Antonio; Marracino, Paolo; Liberti, Micaela; Apollonio, Francesca Article The Journal of chemical physics (2013)
Lipid A from lipopolysaccharide recognition: structure, dynamics and cooperativity by molecular dynamics simulations. Garate, Jose Antonio; Oostenbrink, Chris Article Proteins (2013)
Controlled semiconductor nanorod assembly from solution: influence of concentration, charge and solvent nature Ajay Singh, Robert D Gunning, Shafaat Ahmed, Christopher A Barrett, Niall J English, José-Antonio Garate, Kevin M Ryan Article 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)
Human aquaporin 4 gating dynamics in dc and ac electric fields: a molecular dynamics study. Garate, J-A; English, Niall J; MacElroy, J M D Article The Journal of chemical physics (2011)
Molecular dynamics study of the archaeal aquaporin AqpM. Araya-Secchi, Raul; Garate, J A; Holmes, David S; Perez-Acle, Tomas Article BMC genomics (2011)
Aggregation of alcohols ethoxylates in n-heptane José Antonio Gárate, María de los Ángeles Valenzuela, María Pilar Gárate, Andrés F Olea Article 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, Marcela; Garate, José A; Lagos, Carlos F; Araya-Secchi, Raúl; Norambuena, Patricia; Quiroz, Soledad; Larrondo, Luis; Pérez-Acle, Tomas; Eyzaguirre, Jaime Article 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, Angel; Duran, Leonardo Sepulveda; Araya-Secchi, Raul; Garate, Jose A; Pessoa-Mahana, C David; Lagos, Carlos F; Perez-Acle, Tomas Article 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; CARLOS GONZALEZ LEON; Valeria del Campo; NATALIA HASSAN-LOPEZ; Berrios, Eduardo Proyecto (2021)
Inserción de académico con línea de investigación en área de la simulación molecular y nanotoxicidad Alan Neelly; José Antonio Gárate Proyecto (2018)
Molecular mechanisms at the nano-bio interface: applications and biohazards Jose Antonio Garate; Ulrich Volkman Proyecto (2018)
Is there a voltage-controlled hydraulic gating in the human Connexin 26 hemichannel? FONDECYT (3130547) Proyecto 2016-2019 Coinvestigador(a)
Integration of structural biology into the development of bionanotechnology PIA (ACT-1107) Proyecto 2013-2015 Investigador(a)
FREE ENERGY CALCULATIONS OF CARBON-NANOTUBE ASSISTED WATER SELF DIFFUSION. FONDECYT (3130547) Proyecto 2012-2015 Inv. Responsable
Efficient and accurate simulation techniques for free energies, enthalpies and entropies. Commission of the European Communities, Rue de la Loi, Brussels, European Union (EASTFE3) Proyecto 2011-2015 Postdoctorado
Millennium Institute Interdisciplinary Center for Neuroscience Ministerio de Economia (ICM-ECONOMIA P09-022-F) Proyecto 2010-2020 Investigador(a)
Fundación Ciencia para la Vida FONDAP (PFB16) Proyecto 2008-2017 Coinvestigador(a)