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Jose Antonio Garate
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Reduced cytotoxicity of graphene nanosheets mediated by blood-protein coating
Y Chong, C Ge, Z Yang, JA Garate, Z Gu, JK Weber, J Liu, R Zhou
ACS nano 9 (6), 5713-5724, 2015
2472015
Protein corona mitigates the cytotoxicity of graphene oxide by reducing its physical interaction with cell membrane
G Duan, S Kang, X Tian, JA Garate, L Zhao, C Ge, R Zhou
Nanoscale 7 (37), 15214-15224, 2015
1882015
Controlled semiconductor nanorod assembly from solution: influence of concentration, charge and solvent nature
A Singh, RD Gunning, S Ahmed, CA Barrett, NJ English, JA Garate, ...
Journal of Materials Chemistry 22 (4), 1562-1569, 2012
982012
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
R Reale, NJ English, JA Garate, P Marracino, M Liberti, F Apollonio
The Journal of Chemical Physics 139 (20), 11B616_1, 2013
662013
Carbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields
JA Garate, NJ English, JMD MacElroy
Molecular Simulation 35 (1-2), 3-12, 2009
652009
Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes
JA Garate, NJ English, JMD MacElroy
The Journal of chemical physics 131 (11), 114508, 2009
632009
Human aquaporin 4 gating dynamics in dc and ac electric fields: A molecular dynamics study
JA Garate, NJ English, JMD MacElroy
The Journal of chemical physics 134 (5), 02B613, 2011
592011
Conformationally constrained lipid A mimetics for exploration of structural basis of TLR4/MD-2 activation by lipopolysaccharide
D Artner, A Oblak, S Ittig, JA Garate, S Horvat, C Arrieumerlou, A Hofinger, ...
ACS chemical biology 8 (11), 2423-2432, 2013
502013
Exploration of graphene oxide as an intelligent platform for cancer vaccines
H Yue, W Wei, Z Gu, D Ni, N Luo, Z Yang, L Zhao, JA Garate, R Zhou, ...
Nanoscale 7 (47), 19949-19957, 2015
492015
Lipid A from lipopolysaccharide recognition: structure, dynamics and cooperativity by molecular dynamics simulations
JA Garate, C Oostenbrink
Proteins: Structure, Function, and Bioinformatics 81 (4), 658-674, 2013
372013
RIP-MD: a tool to study residue interaction networks in protein molecular dynamics
S Contreras-Riquelme, JA Garate, T Perez-Acle, AJM Martin
PeerJ 6, e5998, 2018
362018
Characterization of a novel water pocket inside the human Cx26 hemichannel structure
R Araya-Secchi, T Perez-Acle, S Kang, T Huynh, A Bernardin, Y Escalona, ...
Biophysical journal 107 (3), 599-612, 2014
362014
Computational modeling study of functional microdomains in cannabinoid receptor type 1
A Gonzalez, LS Duran, R Araya-Secchi, JA Garate, CD Pessoa-Mahana, ...
Bioorganic & medicinal chemistry 16 (8), 4378-4389, 2008
322008
Human aquaporin 4 gating dynamics under perpendicularly-oriented electric-field impulses: A molecular dynamics study
P Marracino, M Liberti, E Trapani, CJ Burnham, M Avena, JA Garate, ...
International Journal of Molecular Sciences 17 (7), 1133, 2016
232016
Human aquaporin 4 gating dynamics under axially oriented electric-field impulses: A non-equilibrium molecular-dynamics study
M Bernardi, P Marracino, MR Ghaani, M Liberti, F Del Signore, ...
The Journal of Chemical Physics 149 (24), 245102, 2018
222018
On the thermodynamics of carbon nanotube single-file water loading: free energy, energy and entropy calculations
JA Garate, T Perez-Acle, C Oostenbrink
Physical Chemistry Chemical Physics 16 (11), 5119-5128, 2014
222014
Free‐energy differences between states with different conformational ensembles
JA Garate, C Oostenbrink
Journal of Computational Chemistry 34 (16), 1398-1408, 2013
202013
Molecular dynamics study of the archaeal aquaporin AqpM
R Araya-Secchi, JA Garate, DS Holmes, T Perez-Acle
BMC genomics 12, 1-13, 2011
172011
Disaccharide‐based anionic amphiphiles as potent inhibitors of lipopolysaccharide‐induced inflammation
A Borio, A Holgado, JA Garate, R Beyaert, H Heine, A Zamyatina
ChemMedChem 13 (21), 2317-2331, 2018
152018
Accessing gap-junction channel structure-function relationships through molecular modeling and simulations
F Villanelo, Y Escalona, C Pareja-Barrueto, JA Garate, IM Skerrett, ...
BMC Cell Biology 18, 1-15, 2017
152017
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Articles 1–20