Publicaciones (72) Publicaciones de ANTONIO REY GAYO

2022

  1. 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

  1. Behavior of Proteins under Pressure from Experimental Pressure-Dependent Structures

    Journal of Physical Chemistry B, Vol. 125, Núm. 23, pp. 6179-6191

2020

  1. Self-consistent mean field calculations of polyelectrolyte-surfactant mixtures in solution and upon adsorption onto negatively charged surfaces

    Polymers, Vol. 12, Núm. 3

2019

  1. Design of a structure-based model for protein folding from flexible conformations

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 12, pp. 6544-6552

  2. 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

  1. 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

  1. How determinant is N-terminal to C-terminal coupling for protein folding?

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 5, pp. 3512-3524

2014

  1. 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

  2. Intermediates in the folding equilibrium of repeat proteins from the TPR family

    European Biophysics Journal, Vol. 43, Núm. 8-9, pp. 433-443

2013

  1. Sketching protein aggregation with a physics-based toy model

    Journal of Chemical Physics, Vol. 139, Núm. 11

2012

  1. Simple model for the simulation of peptide folding and aggregation with different sequences

    Journal of Chemical Physics, Vol. 136, Núm. 21

  2. Simulating protein unfolding under pressure with a coarse-grained model

    Journal of Chemical Physics, Vol. 137, Núm. 18

  3. Why do protein folding rates correlate with metrics of native topology?

    PLoS ONE, Vol. 7, Núm. 4

2011

  1. Improvement of structure-based potentials for protein folding by native and nonnative hydrogen bonds

    Biophysical Journal, Vol. 101, Núm. 6, pp. 1474-1482

2010

  1. A refined hydrogen bond potential for flexible protein models

    Journal of Chemical Physics, Vol. 132, Núm. 23

  2. A simple simulation model can reproduce the thermodynamic folding intermediate of apoflavodoxin

    Proteins: Structure, Function and Bioinformatics, Vol. 78, Núm. 1, pp. 73-82

  3. The protein folding transition state: Insights from kinetics and thermodynamics

    Journal of Chemical Physics, Vol. 133, Núm. 12

2009

  1. Topology-based potentials and the study of the competition between protein folding and aggregation

    Journal of Chemical Physics, Vol. 130, Núm. 11

2008

  1. Energy minimizations with a combination of two knowledge-based potentials for protein folding

    Journal of Computational Chemistry, Vol. 29, Núm. 10, pp. 1684-1692

  2. Simulations of the protein folding process using topology-based models depend on the experimental structure

    Journal of Chemical Physics, Vol. 129, Núm. 11