MARTIN
CALVELO SOUTO
Investigador contratado posdoutoral
Publicacións nas que colabora con MARTIN CALVELO SOUTO (9)
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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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
2021
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Transmembrane Self-Assembled Cyclic Peptide Nanotubes Based on α‐Residues and Cyclic δ‐Amino Acids: A Computational Study
Frontiers in Chemistry, Vol. 9
2020
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An immersive journey to the molecular structure of SARS-CoV-2: Virtual reality in COVID-19
Computational and Structural Biotechnology Journal, Vol. 18, pp. 2621-2628
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Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes
Biomolecules, Vol. 10, Núm. 3
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The Lord of the NanoRings: Cyclodextrins and the battle against SARS-CoV-2
International Journal of Pharmaceutics, Vol. 588
2018
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GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps
Journal of Chemical Theory and Computation, Vol. 14, Núm. 2, pp. 466-478