ANTONIO
REY GAYO
Catedrático de universidad
Publicacións (72) Publicacións de ANTONIO REY GAYO
2022
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A Note on the Effects of Linear Topology Preservation in Monte Carlo Simulations of Knotted Proteins
International Journal of Molecular Sciences, Vol. 23, Núm. 22, pp. 13871
2021
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Behavior of Proteins under Pressure from Experimental Pressure-Dependent Structures
Journal of Physical Chemistry B, Vol. 125, Núm. 23, pp. 6179-6191
2020
2019
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Design of a structure-based model for protein folding from flexible conformations
Physical Chemistry Chemical Physics, Vol. 21, Núm. 12, pp. 6544-6552
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Hydrophobic confinement modulates thermal stability and assists knotting in the folding of tangled proteins
Physical Chemistry Chemical Physics, Vol. 21, Núm. 22, pp. 11764-11775
2016
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Steric confinement and enhanced local flexibility assist knotting in simple models of protein folding
Physical Chemistry Chemical Physics, Vol. 18, Núm. 38, pp. 26391-26403
2015
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How determinant is N-terminal to C-terminal coupling for protein folding?
Physical Chemistry Chemical Physics, Vol. 17, Núm. 5, pp. 3512-3524
2014
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Design of a rotamer library for coarse-grained models in protein-folding simulations
Journal of Chemical Information and Modeling, Vol. 54, Núm. 1, pp. 302-313
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Intermediates in the folding equilibrium of repeat proteins from the TPR family
European Biophysics Journal, Vol. 43, Núm. 8-9, pp. 433-443
2013
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Sketching protein aggregation with a physics-based toy model
Journal of Chemical Physics, Vol. 139, Núm. 11
2012
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Simple model for the simulation of peptide folding and aggregation with different sequences
Journal of Chemical Physics, Vol. 136, Núm. 21
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Simulating protein unfolding under pressure with a coarse-grained model
Journal of Chemical Physics, Vol. 137, Núm. 18
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Why do protein folding rates correlate with metrics of native topology?
PLoS ONE, Vol. 7, Núm. 4
2011
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Improvement of structure-based potentials for protein folding by native and nonnative hydrogen bonds
Biophysical Journal, Vol. 101, Núm. 6, pp. 1474-1482
2010
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A refined hydrogen bond potential for flexible protein models
Journal of Chemical Physics, Vol. 132, Núm. 23
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A simple simulation model can reproduce the thermodynamic folding intermediate of apoflavodoxin
Proteins: Structure, Function and Bioinformatics, Vol. 78, Núm. 1, pp. 73-82
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The protein folding transition state: Insights from kinetics and thermodynamics
Journal of Chemical Physics, Vol. 133, Núm. 12
2009
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Topology-based potentials and the study of the competition between protein folding and aggregation
Journal of Chemical Physics, Vol. 130, Núm. 11
2008
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Energy minimizations with a combination of two knowledge-based potentials for protein folding
Journal of Computational Chemistry, Vol. 29, Núm. 10, pp. 1684-1692
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Simulations of the protein folding process using topology-based models depend on the experimental structure
Journal of Chemical Physics, Vol. 129, Núm. 11