Diego Prada-Gracia
Diego Prada-Gracia
Computational Biology and Drug Design Research Unit. Hospital Infantil de México Federico Gómez
Verified email at himfg.edu.mx
Title
Cited by
Cited by
Year
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
102*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
972008
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
552013
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
392016
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
182013
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
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
172018
Consensus for the Fip35 folding mechanism?
G Berezovska, D Prada-Gracia, F Rao
The Journal of chemical physics 139 (3), 07B608_1, 2013
162013
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
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
142012
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
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
112015
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
12011
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Articles 1–20