MARTIN
CALVELO SOUTO
Investigador contratado posdoctoral
![Foto de MARTIN](/img/nophoto.png)
![Foto de Universitat de Barcelona](/img/noimage_org.png)
Universitat de Barcelona
Barcelona, EspañaPublicaciones en colaboración con investigadores/as de Universitat de Barcelona (5)
2024
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Unlocking the specificity of antimicrobial peptide interactions for membrane-targeted therapies
Computational and Structural Biotechnology Journal, Vol. 25, pp. 61-74
2023
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Human O-GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics
ACS Catalysis, Vol. 13, Núm. 20, pp. 13672-13678
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Uncovering the mechanisms of cyclic peptide self-assembly in membranes with the chirality-aware MA(R/S)TINI forcefield
Journal of Colloid and Interface Science, Vol. 642, pp. 84-99
2022
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Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison
International Journal of Molecular Sciences, Vol. 23, Núm. 6
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SuPepMem: A database of innate immune system peptides and their cell membrane interactions
Computational and Structural Biotechnology Journal, Vol. 20, pp. 874-881