José Antonio Gárate Chateau

Profesor Asistente

Universidad de Valparaíso

Valaparaiso, Chile

Líneas de Investigación

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

Experiencia Académica

  •   post-doc Full Time

    University of Natural Resources, Vienna

    vienna, Austria

    2011 - 2013

  •   Post-Doc Full Time

    Fundación Ciencia & Vida

    santiago, Chile

    2013 - 2017

Experiencia Profesional

  •   Profesor Asistente Full Time

    Fundación Ciencia & Vida

    Santiago, Chile

    2016 - 2017

  •   Profesor Asistente Full Time

    Universidad de Valparaiso

    Valparaiso, Chile

    2018 - A la fecha

Difusión y Transferencia

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.


Article (41)

On the effects of induced polarizability at the water-graphene interface via classical charge-on-spring models
Simulations on Simple Models of Connexin Hemichannels Indicate That Ca2+ Blocking Is Not a Pure Electrostatic Effect
The voltage sensor is responsible for ApH dependence in Hv1 channels
Entropy deepens loading chemical potentials of small alcohols by narrow carbon nanotubes
Controlling ionic conductivity through transprotein electropores in human aquaporin 4: a non- equilibrium molecular- dynamics study
Orientational and Folding Thermodynamics via Electric Dipole Moment Restraining
Disaccharide-Based Anionic Amphiphiles as Potent Inhibitors of Lipopolysaccharide-Induced Inflammation
Human aquaporin 4 gating dynamics under axially oriented electric-field impulses: A non-equilibrium molecular-dynamics study
RIP-MD: a tool to study residue interaction networks in protein molecular dynamics
Transprotein-Electropore Characterization: A Molecular Dynamics Investigation on Human AQP4
Accessing gap-junction channel structure-function relationships through molecular modeling and simulations
Accessing the structural and thermodynamic properties of ultra-thin layers of C32 adsorbed on a SiO2 surface
Exploring the Membrane Potential of Simple Dual-Membrane Systems as Models for Gap-Junction Channels.
From dimers to collective dipoles: Structure and dynamics of methanol/ethanol partition by narrow carbon nanotubes
Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study
Near-microsecond human aquaporin 4 gating dynamics in static and alternating external electric fields: Non-equilibrium molecular dynamics
Anti-endotoxic activity and structural basis for human MD-2· TLR4 antagonism of tetraacylated lipid A mimetics based on βGlcN (1↔ 1) αGlcN scaffold
Exploration of graphene oxide as an intelligent platform for cancer vaccines
Exploring the membrane potential of a simple dual membrane system by using a constant electric field
Protein corona mitigates the cytotoxicity of graphene oxide by reducing its physical interaction with cell membrane
Reduced Cytotoxicity of Graphene Nanosheets Mediated by Blood-Protein Coating
Characterization of a novel water pocket inside the human Cx26 hemichannel structure.
Dewetting transition assisted clearance of (NFGAILS) amyloid fibrils from cell membranes by graphene
Entropic and Enthalpic Contributions to Stereospecific Ligand Binding from Enhanced Sampling Methods
On the thermodynamics of carbon nanotube single-file water loading: free energy, energy and entropy calculations.
Conformationally Constrained Lipid A Mimetics for Exploration of Structural Basis of TLR4/MD-2 Activation by Lipopolysaccharide
Free-energy differences between states with different conformational ensembles.
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.
Lipid A from lipopolysaccharide recognition: structure, dynamics and cooperativity by molecular dynamics simulations.
Controlled semiconductor nanorod assembly from solution: influence of concentration, charge and solvent nature
Diffusion and interactions of carbon dioxide and oxygen in the vicinity of the active site of Rubisco: Molecular dynamics and quantum chemical studies
Lipid a from lipopolysaccharide recognition: Structure, dynamics and cooperativity by molecular dynamics simulations
Electrophoretic Deposition of Poly(3-decylthiophene) onto Gold-Mounted Cadmium Selenide Nanorods
Human aquaporin 4 gating dynamics in dc and ac electric fields: a molecular dynamics study.
Molecular dynamics study of the archaeal aquaporin AqpM.
Aggregation of alcohols ethoxylates in n-heptane
Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes
An eleven amino acid residue deletion expands the substrate specificity of acetyl xylan esterase II (AXE II) from Penicillium purpurogenum.
Carbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields
Computational modeling study of functional microdomains in cannabinoid receptor type 1.
Human aquaporin 4 gating dynamics in dc and ac electric fields: A molecular dynamics study

Proyecto (10)

The thermodynamics of nanoconfinement in synthetic and biological channels: from structure to function
Nucleus in NanoBioPhysics
Inserción de académico con línea de investigación en área de la simulación molecular y nanotoxicidad
Molecular mechanisms at the nano-bio interface: applications and biohazards
Is there a voltage-controlled hydraulic gating in the human Connexin 26 hemichannel?
Integration of structural biology into the development of bionanotechnology
Efficient and accurate simulation techniques for free energies, enthalpies and entropies.
Millennium Institute Interdisciplinary Center for Neuroscience
Fundación Ciencia para la Vida
José Gárate

Profesor Asistente

Instituto de Neurociencia

Universidad de Valparaíso

Valaparaiso, Chile

Tomas Perez-Acle

Full Professor

Computational Biology Lab

Fundación Ciencia para la Vida

Santiago, Chile

Alberto Martin

Assistant professor

Centro de Genómica y Bioinformática

Universidad Mayor

Santiago, Chile

alejandro bernardin

PhD (c)

Fundación Ciencia y Vida

Santiago, Chile

Claudia Pareja


Departamento de Hematología-Oncología

Pontificia Universidad Católica de Chile

Santiago, Chile

Sebastián Gutiérrez

Investigador postdoctoral

Fundación Ciencia & Vida

Santiago, Chile

Ulrich Volkmann

Profesor Titular

Facultad de Física


Santiago, Chile

Marcelo Cisternas


Ingeniería Industrial

Universidad de Valparaíso

Santiago, Chile

María Retamal

Profesor a honorarios


Pontificia Universidad Católica de Chile

Santiago, Chile

Alan Neely


Instituto de Neurociencias

Universidad de Valparaíso

Valparaiso, Estados Unidos