Diego Prada-Gracia
Diego Prada-Gracia
Computational Biology and Drug Design Research Unit. Hospital Infantil de México Federico Gómez
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Exploring the free energy landscape: from dynamics to networks and back
D Prada-Gracia, J Gómez-Gardeñes, P Echenique, F Falo
PLoS computational biology 5 (6), e1000415, 2009
Efficient Formalism for Large-Scale Ab Initio Molecular Dynamics based on Time-Dependent Density Functional Theory
JL Alonso, X Andrade, P Echenique, F Falceto, D Prada-Gracia, A Rubio
Physical review letters 101 (9), 096403, 2008
Application of computational methods for anticancer drug discovery, design, and optimization
D Prada-Gracia, S Huerta-Yépez, LM Moreno-Vargas
Boletín Médico Del Hospital Infantil de México (English Edition) 73 (6), 411-423, 2016
The quest for self-consistency in hydrogen bond definitions
D Prada-Gracia, R Shevchuk, F Rao
The Journal of chemical physics 139 (8), 2013
Impact of lipid composition and receptor conformation on the spatio-temporal organization of μ-opioid receptors in a multi-component plasma membrane model
KA Marino, D Prada-Gracia, D Provasi, M Filizola
PLoS computational biology 12 (12), e1005240, 2016
Molecular details of dimerization kinetics reveal negligible populations of transient µ-opioid receptor homodimers at physiological concentrations
D Meral, D Provasi, D Prada-Gracia, J Möller, K Marino, MJ Lohse, ...
Scientific reports 8 (1), 7705, 2018
Structure–dynamics relationship in coherent transport through disordered systems
S Mostarda, F Levi, D Prada-Gracia, F Mintert, F Rao
Nature communications 4 (1), 2296, 2013
Common conformational changes in flavodoxins induced by FMN and anion binding: The structure of Helicobacter pylori apoflavodoxin
M Martínez‐Júlvez, N Cremades, M Bueno, I Pérez‐Dorado, C Maya, ...
Proteins: Structure, function, and bioinformatics 69 (3), 581-594, 2007
Mesoscopic model for free-energy-landscape analysis of DNA sequences
R Tapia-Rojo, D Prada-Gracia, JJ Mazo, F Falo
Physical Review E 86 (2), 021908, 2012
Cloning and biochemical characterization of three glucose‑6‑phosphate dehydrogenase mutants presents in the Mexican population
YY Cortés-Morales, A Vanoye-Carlo, RA Castillo-Rodríguez, ...
International journal of biological macromolecules 119, 926-936, 2018
Accounting for the kinetics in order parameter analysis: Lessons from theoretical models and a disordered peptide
G Berezovska, D Prada-Gracia, S Mostarda, F Rao
The Journal of Chemical Physics 137 (19), 2012
Towards a microscopic description of the free-energy landscape of water
D Prada-Gracia, R Shevchuk, P Hamm, F Rao
The Journal of Chemical Physics 137 (14), 2012
Consensus for the Fip35 folding mechanism?
G Berezovska, D Prada-Gracia, F Rao
The Journal of chemical physics 139 (3), 2013
Live attenuated Salmonella enterica expressing and releasing cell-permeable Bax BH3 peptide through the MisL autotransporter system elicits antitumor activity in a murine …
AA Mateos-Chávez, P Muñoz-López, EI Becerra-Báez, LF Flores-Martínez, ...
Frontiers in immunology 10, 473026, 2019
Biochemical Characterization and Structural Modeling of Fused Glucose-6-Phosphate Dehydrogenase-Phosphogluconolactonase from Giardia lamblia
L Morales-Luna, H Serrano-Posada, A González-Valdez, ...
International Journal of Molecular Sciences 19 (9), 2518, 2018
Structure and dynamics of water in crowded environments slows down peptide conformational changes
C Lu, D Prada-Gracia, F Rao
The Journal of Chemical Physics 141 (4), 2014
Water structure-forming capabilities are temperature shifted for different models
R Shevchuk, D Prada-Gracia, F Rao
The Journal of Physical Chemistry B 116 (25), 7538-7543, 2012
A comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networks
PA Cazade, W Zheng, D Prada-Gracia, G Berezovska, F Rao, C Clementi, ...
The Journal of chemical physics 142 (2), 2015
Expanding the structural diversity of DNA methyltransferase inhibitors
KE Juárez-Mercado, FD Prieto-Martínez, N Sánchez-Cruz, ...
Pharmaceuticals 14 (1), 17, 2020
Macro and nano scale modelling of water–water interactions at ambient and low temperature: relaxation and residence times
MC Morón, D Prada-Gracia, F Falo
Physical Chemistry Chemical Physics 18 (14), 9377-9387, 2016
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Artículos 1–20