Publicaciones en colaboración con investigadores/as de Donostia International Physics Center (24)

2024

  1. Atomistic molecular simulations of Aβ-Zn conformational ensembles

    Proteins: Structure, Function and Bioinformatics, Vol. 92, Núm. 1, pp. 134-144

  2. Biallelic variants in SNUPN cause a limb girdle muscular dystrophy with myofibrillar-like features

    Brain, Vol. 147, Núm. 8, pp. 2867-2883

  3. High-throughput virtual search of small molecules for controlling the mechanical stability of human CD4

    Journal of Biological Chemistry, Vol. 300, Núm. 4

  4. Mixed Stereochemistry Macrocycle Acts as a Helix-Stabilizing Peptide N-Cap

    Journal of the American Chemical Society, Vol. 146, Núm. 35, pp. 24348-24357

  5. The strongest protein binder is surprisingly labile

    Protein Science, Vol. 33, Núm. 7

2023

  1. Compliant mechanical response of the ultrafast folding protein EnHD under force

    Communications Physics, Vol. 6, Núm. 1

  2. Influence of metal binding on the conformational landscape of neurofilament peptides

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 39, pp. 26429-26442

  3. Rules governing metal coordination in Aβ-Zn(ii) complex models from quantum mechanical calculations

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 40, pp. 27618-27627

  4. Structural basis of domain destabilization by dilated-cardiomyopathy-causing missense mutations in titin

    Biophysical journal, Vol. 122, Núm. 3S1

  5. Titin domains with reduced core hydrophobicity cause dilated cardiomyopathy

    Cell reports, Vol. 42, Núm. 12, pp. 113490

2022

  1. Influence of the Nonprotein Amino Acid Mimosine in Peptide Conformational Propensities from Novel Amber Force Field Parameters

    Journal of Physical Chemistry B, Vol. 126, Núm. 16, pp. 2959-2967

  2. Phase separation in amino acid mixtures is governed by composition

    Biophysical Journal, Vol. 121, Núm. 21, pp. 4119-4127

  3. Prediction of Folding and Unfolding Rates of Proteins with Simple Models

    Methods in Molecular Biology (Humana Press Inc.), pp. 365-372

2021

  1. Markov state models from hierarchical density-based assignment

    Journal of Chemical Physics, Vol. 155, Núm. 5

  2. Mechanism of Hydrogen Sulfide-Dependent Inhibition of FeFe Hydrogenase

    ACS Catalysis, Vol. 11, Núm. 24, pp. 15162-15176

  3. Nanomechanical Phenotypes in Cardiac Myosin-Binding Protein C Mutants That Cause Hypertrophic Cardiomyopathy

    ACS Nano, Vol. 15, Núm. 6, pp. 10203-10216

2020

  1. Competitive binding of HIF-1α and CITED2 to the TAZ1 domain of CBP from molecular simulations

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 15, pp. 8118-8127

  2. Slow Folding of a Helical Protein: Large Barriers, Strong Internal Friction, or a Shallow, Bumpy Landscape?

    The journal of physical chemistry. B, Vol. 124, Núm. 41, pp. 8973-8983

  3. Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation

    Journal of Inorganic Biochemistry, Vol. 210

2019

  1. An Abl-FBP17 mechanosensing system couples local plasma membrane curvature and stress fiber remodeling during mechanoadaptation

    Nature Communications, Vol. 10, Núm. 1