Підписатись
Jose C. Flores-Canales
Jose C. Flores-Canales
Senior Scientist - Sanofi
Підтверджена електронна адреса в sanofi.com
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Посилання
Рік
Assessment of network module identification across complex diseases
S Choobdar, ME Ahsen, J Crawford, M Tomasoni, T Fang, D Lamparter, ...
Nature Methods 16, 843–852, 2019
2402019
pH-triggered conformational switching of the diphtheria toxin T-domain: the roles of N-terminal histidines
IV Kurnikov, A Kyrychenko, JC Flores-Canales, MV Rodnin, N Simakov, ...
Journal of molecular biology 425 (15), 2752-2764, 2013
572013
Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H+ symporter STP10
L Bavnhøj, PA Paulsen, JC Flores-Canales, B Schiøtt, BP Pedersen
Nature Plants 7 (10), 1409-1419, 2021
292021
Role of acidic residues in helices TH8–TH9 in membrane interactions of the diphtheria toxin T domain
C Ghatak, MV Rodnin, M Vargas-Uribe, AJ McCluskey, ...
Toxins 7 (4), 1303-1323, 2015
292015
Open community challenge reveals molecular network modules with key roles in diseases
S Choobdar, ME Ahsen, J Crawford, M Tomasoni, T Fang, D Lamparter, ...
bioRxiv, 265553, 2018
272018
Protein structure modeling and refinement by global optimization in CASP12
SH Hong, IS Joung, JC Flores‐Canales, B Manavalan, Q Cheng, S Heo, ...
Proteins: Structure, Function, and Bioinformatics 86, 122-135, 2018
192018
Targeting electrostatic interactions in accelerated molecular dynamics with application to protein partial unfolding
JC Flores-Canales, M Kurnikova
Journal of chemical theory and computation 11 (6), 2550-2559, 2015
172015
Membrane association of the diphtheria toxin translocation domain studied by coarse-grained simulations and experiment
JC Flores-Canales, M Vargas-Uribe, AS Ladokhin, M Kurnikova
The Journal of membrane biology 248, 529-543, 2015
122015
Atom diffusion of small Cu clusters across facet–facet barriers over Cu {1 1 1} surfaces
BH Aguilar, JC Flores, AM Coronado, H Huang
Modelling and Simulation in Materials Science and Engineering 15 (5), 419, 2007
112007
Double rotation mechanism in small Cu clusters concerted diffusion over Cu {1 1 1} surfaces
JC Flores, BH Aguilar, AM Coronado, H Huang
Surface science 601 (4), 931-935, 2007
102007
Microsecond simulations of the diphtheria toxin translocation domain in association with anionic lipid bilayers
JC Flores-Canales, M Kurnikova
The Journal of Physical Chemistry B 119 (36), 12074-12085, 2015
92015
Configurational preference of the glutamate receptor ligand binding domain dimers
M Yonkunas, M Buddhadev, JCF Canales, MG Kurnikova
Biophysical Journal 112 (11), 2291-2300, 2017
62017
Fast and flexible geometric method for enhancing MC sampling of compact configurations for protein docking problem
A Ozkan, JC Flores-Canales, R Prabhu, M Sitharam, M Kurnikova
arXiv preprint arXiv:1408.2481, 2014
52014
Predicting Molecular Properties of α‐Synuclein Using Force Fields for Intrinsically Disordered Proteins
KB Pedersen, JC Flores‐Canales, B Schiøtt
Proteins: Structure, Function, and Bioinformatics, 2022
42022
A hierarchical approach to predict conformation-dependent histidine protonation states in stable and flexible proteins
SN Sakipov, JC Flores-Canales, MG Kurnikova
The Journal of Physical Chemistry B 123 (24), 5024-5034, 2019
42019
Baseline Comparisons of Complementary Sampling Methods for Assembly Driven by Short-Ranged Pair Potentials toward Fast and Flexible Hybridization
A Ozkan, M Sitharam, JC Flores-Canales, R Prabhu, M Kurnikova
Journal of Chemical Theory and Computation 17 (3), 1967-1987, 2021
32021
Simulating Multiple Substrate-Binding Events by γ-Glutamyltransferase Using Accelerated Molecular Dynamics
F Oliva, JC Flores-Canales, S Pieraccini, CF Morelli, M Sironi, B Schiøtt
The Journal of Physical Chemistry B 124 (45), 10104-10116, 2020
32020
Microsecond Molecular Dynamics Simulations of Diphtheria Toxin Translocation T-Domain pH-Dependent Unfolding in Solution
JC Flores-Canales, NA Simakov, M Kurnikova
bioRxiv, 572040, 2019
32019
Multiscale simulations of diphtheria toxin T-domain membrane association
JC Flores-Canales, AS Ladokhin, M Kurnikova
Biophysical Journal 106 (2), 441a, 2014
12014
Network Analysis and Kinetic Clustering Methods Applied to Molecular Dynamics Simulations of Proteins in Complex Environments
JC Flores-Canales, NA Berglund, B Schiøtt
Biophysical Journal 120 (3), 301a, 2021
2021
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