Publications by authors named "Manuel Melo"

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The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior.
Kasper B Pedersen, Helgi I Ingólfsson, Daniel P Ramirez-Echemendia, Luís Borges-Araújo, Mikkel D Andreasen, Manuel N Melo

ACS Cent Sci· September 2025

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Unravelling the role of key amino acid residues of the parainfluenza fusion peptide in membrane fusion.
Mariana Valério, Carolina C Buga, Diogo A Mendonça, Miguel A R B Castanho, Manuel N Melo

RSC Chem Biol· July 2025

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Lipid Shape as a Membrane Activity Modulator of a Fusogenic Antimicrobial Peptide.
Marcin Makowski, Octávio L Franco, Nuno C Santos, Manuel N Melo

J Chem Inf Model· May 2025

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GōMartini 3: From large conformational changes in proteins to environmental bias corrections.
Paulo C T Souza, Luís Borges-Araújo, Christopher Brasnett, Rodrigo A Moreira, Fabian Grünewald, Manuel N Melo

Nat Commun· April 2025

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Viral entry mechanisms: the role of molecular simulation in unlocking a key step in viral infections.
Mariana Valério, Carolina C Buga, Manuel N Melo, Cláudio M Soares, Diana Lousa

FEBS Open Bio· February 2025

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Hexokinase-I directly binds to a charged membrane-buried glutamate of mitochondrial VDAC1 and VDAC2.
Sebastian Bieker, Michael Timme, Nils Woge, Dina G Hassan, Chelsea M Brown, Manuel N Melo

Commun Biol· February 2025

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Characterization of DsrD and its interaction with the DsrAB dissimilatory sulfite reductase.
Ana C C Barbosa, Sofia S Venceslau, Delfim Ferreira, Sinje Neukirchen, Filipa L Sousa, Manuel N Melo

Protein Sci· December 2024

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A Narrative Review of the Impact of Sleep on Athletes: Sleep Restriction Causes and Consequences, Monitoring, and Interventions.
Madjer Hatia, Nuno Loureiro, Júlia Ribeiro, Frederico Moeda, Manuel Melo

Cureus· December 2024

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Lipid unsaturation promotes BAX and BAK pore activity during apoptosis.
Shashank Dadsena, Rodrigo Cuevas Arenas, Gonçalo Vieira, Susanne Brodesser, Manuel N Melo

Nat Commun· June 2024

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Xport-A functions as a chaperone by stabilizing the first five transmembrane domains of rhodopsin-1.
Catarina J Gaspar, Tiago Gomes, Joana C Martins, Manuel N Melo, Colin Adrain

iScience· December 2023

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Rotation of the c-Ring Promotes the Curvature Sorting of Monomeric ATP Synthases.
David Valdivieso González, Marcin Makowski, M Pilar Lillo, Francisco J Cao-García, Manuel N Melo

Adv Sci (Weinh)· November 2023

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A sporulation signature protease is required for assembly of the spore surface layers, germination and host colonization in Clostridioides difficile.
Eleonora Marini, Carmen Olivença, Sara Ramalhete, Andrea Martinez Aguirre, Patrick Ingle, Manuel N Melo

PLoS Pathog· November 2023

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Martini 3 Coarse-Grained Force Field for Cholesterol.
Luís Borges-Araújo, Ana C Borges-Araújo, Tugba Nur Ozturk, Daniel P Ramirez-Echemendia, Balázs Fábián, Manuel N Melo

J Chem Theory Comput· October 2023

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Activity modulation of the FF ATP synthase by a designed antimicrobial peptide via cardiolipin sequestering.
Marcin Makowski, Víctor G Almendro-Vedia, Marco M Domingues, Octavio L Franco, Iván López-Montero, Manuel N Melo

iScience· July 2023

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Temperature-Dependent Re-alignment of the Short Multifunctional Peptide BP100 in Membranes Revealed by Solid-State NMR Spectroscopy and Molecular Dynamics Simulations.
Erik Strandberg, Parvesh Wadhwani, Jochen Bürck, Patrick Anders, Christian Mink, Manuel N Melo

Chembiochem· February 2023

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Studies on the Interaction between Model Proteins and Fluorinated Ionic Liquids.
Márcia M S Alves, Manuel N Melo, Haydyn D T Mertens, Ana B Pereiro, Margarida Archer

Pharmaceutics· January 2023

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SARS-CoV-2 variants impact RBD conformational dynamics and ACE2 accessibility.
Mariana Valério, Luís Borges-Araújo, Manuel N Melo, Diana Lousa, Cláudio M Soares

Front Med Technol· October 2022

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Core-shell polycationic polyurea pharmadendrimers: new-generation of sustainable broad-spectrum antibiotics and antifungals.
Sandra N Pinto, Dalila Mil-Homens, Rita F Pires, Marta M Alves, Gabriel Serafim, Manuel Melo

Biomater Sci· September 2022

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Parainfluenza Fusion Peptide Promotes Membrane Fusion by Assembling into Oligomeric Porelike Structures.
Mariana Valério, Diogo A Mendonça, João Morais, Carolina C Buga, Carlos H Cruz, Manuel N Melo

ACS Chem Biol· July 2022

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Coarse-Grain Simulations of Membrane-Adsorbed Helical Peptides.
Manuel N Melo

Methods Mol Biol· March 2022

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Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse-Grain Force Field.
Luís Borges-Araújo, Paulo C T Souza, Fábio Fernandes, Manuel N Melo

J Chem Theory Comput· January 2022

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Acyl-chain saturation regulates the order of phosphatidylinositol 4,5-bisphosphate nanodomains.
Luís Borges-Araújo, Marco M Domingues, Alexander Fedorov, Nuno C Santos, Manuel N Melo

Commun Chem· November 2021

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Overlapping Properties of the Short Membrane-Active Peptide BP100 With (i) Polycationic TAT and (ii) α-helical Magainin Family Peptides.
Christian Mink, Erik Strandberg, Parvesh Wadhwani, Manuel N Melo, Johannes Reichert

Front Cell Infect Microbiol· June 2021

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Coarse-Grained Parameterization of Nucleotide Cofactors and Metabolites: Protonation Constants, Partition Coefficients, and Model Topologies.
Filipe M Sousa, Luís M P Lima, Clément Arnarez, Manuela M Pereira, Manuel N Melo

J Chem Inf Model· January 2021

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Localization Preference of Antimicrobial Peptides on Liquid-Disordered Membrane Domains.
Juanjuan Su, Siewert J Marrink, Manuel N Melo

Front Cell Dev Biol· May 2020

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