Diego Prada-Gracia
Diego Prada-Gracia
Computational Biology and Drug Design Research Unit. Hospital Infantil de México Federico Gómez
Dirección de correo verificada de himfg.edu.mx
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Citado por
Citado por
Año
Exploring the free energy landscape: from dynamics to networks and back
D Prada-Gracia, J Gómez-Gardeñes, P Echenique, F Falo
PLoS Comput Biol 5 (6), e1000415, 2009
103*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
982008
The quest for self-consistency in hydrogen bond definitions
D Prada-Gracia, R Shevchuk, F Rao
The Journal of chemical physics 139 (8), 084501, 2013
562013
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
372016
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
332016
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
252007
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), 144504, 2012
212012
Structure–dynamics relationship in coherent transport through disordered systems
S Mostarda, F Levi, D Prada-Gracia, F Mintert, F Rao
Nature communications 4 (1), 1-7, 2013
192013
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), 1-13, 2018
182018
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), 194101, 2012
182012
Consensus for the Fip35 folding mechanism?
G Berezovska, D Prada-Gracia, F Rao
The Journal of chemical physics 139 (3), 07B608_1, 2013
162013
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
152012
Water structure-forming capabilities are temperature shifted for different models
R Shevchuk, D Prada-Gracia, F Rao
The Journal of Physical Chemistry B, 2012
152012
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), 01B610_1, 2015
122015
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), 07B620_1, 2014
122014
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
62018
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
42016
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
32018
New perspectives on the computational characterization of the kinetics of binding-unbinding in drug design: implications for novel therapies
LM Moreno-Vargas, D Prada-Gracia
Boletin medico del Hospital Infantil de Mexico 73 (6), 424-431, 2016
22016
Paisajes de energía libre en modelos de biomoléculas
DP Gracia
Universidad de Zaragoza, 2011
22011
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20