List of works - Manuel N. Melo

Adaptive Resolution Simulation of MARTINI Solvents

scientific article published on 06 May 2014

Adaptive resolution simulation of an atomistic protein in MARTINI water

scientific article published on 01 February 2014

Adaptive resolution simulation of polarizable supramolecular coarse-grained water models

article

Altered secondary structure of Dynorphin A associates with loss of opioid signalling and NMDA-mediated excitotoxicity in SCA23.

scientific article

Antimicrobial peptides: linking partition, activity and high membrane-bound concentrations.

scientific article published in March 2009

Bacteriocin AS-48 binding to model membranes and pore formation as revealed by coarse-grained simulations.

scientific article

Benchmark of Schemes for Multiscale Molecular Dynamics Simulations.

scientific article published in April 2015

Cell-penetrating peptides and antimicrobial peptides: how different are they?

scientific article published on October 2006

Ceramides bind VDAC2 to trigger mitochondrial apoptosis

scientific article published on 23 April 2019

Characterization of glycoinositolphosphoryl ceramide structure mutant strains of Cryptococcus neoformans

scientific article

Coarse-Grained Parameterization of Nucleotide Cofactors and Metabolites: Protonation Constants, Partition Coefficients, and Model Topologies

scientific article published on 05 January 2021

Defined lipid analogues induce transient channels to facilitate drug-membrane traversal and circumvent cancer therapy resistance

scientific article published on January 2013

Dry Martini, a coarse-grained force field for lipid membrane simulations with implicit solvent

scientific article published on 17 December 2014

Escherichia coli cell surface perturbation and disruption induced by antimicrobial peptides BP100 and pepR

scientific article published on 21 June 2010

Exchange pathways of plastoquinone and plastoquinol in the photosystem II complex.

scientific article

High-Throughput Simulations Reveal Membrane-Mediated Effects of Alcohols on MscL Gating.

scientific article published on 26 January 2017

How to address CPP and AMP translocation? Methods to detect and quantify peptide internalization in vitro and in vivo (Review).

scientific article

Hsc70-4 Deforms Membranes to Promote Synaptic Protein Turnover by Endosomal Microautophagy.

scientific article published in November 2015

Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse-Grain Force Field

scientific article published on 28 December 2021

Interaction between dengue virus fusion peptide and lipid bilayers depends on peptide clustering

scientific article

Interaction of the Dengue virus fusion peptide with membranes assessed by NMR: The essential role of the envelope protein Trp101 for membrane fusion

scientific article published on 17 July 2009

Lipid organization of the plasma membrane

scientific article

Lipid-Protein Interactions Are Unique Fingerprints for Membrane Proteins.

scientific article

Parameters for Martini sterols and hopanoids based on a virtual-site description

scientific article published on 01 December 2015

Pitfalls of the Martini Model

scientific article published on 24 September 2019

Prediction of Thylakoid Lipid Binding Sites on Photosystem II.

scientific article published in December 2017

Prediction of antibacterial activity from physicochemical properties of antimicrobial peptides.

scientific article

Structure-Stability-Function Mechanistic Links in the Anti-Measles Virus Action of Tocopherol-Derivatized Peptide Nanoparticles

scientific article published on 24 September 2018

Synergistic effects of the membrane actions of cecropin-melittin antimicrobial hybrid peptide BP100

scientific article

The N-terminal amphipathic helix of Pex11p self-interacts to induce membrane remodelling during peroxisome fission.

scientific article published in March 2018

The mechanisms and quantification of the selective permeability in transport across biological barriers: the example of kyotorphin.

scientific article published on February 2014

Using zeta-potential measurements to quantify peptide partition to lipid membranes

scientific article published on 13 January 2011

List of works by Manuel N. Melo

Adaptive Resolution Simulation of MARTINI Solvents

Adaptive resolution simulation of an atomistic protein in MARTINI water

Adaptive resolution simulation of polarizable supramolecular coarse-grained water models

Altered secondary structure of Dynorphin A associates with loss of opioid signalling and NMDA-mediated excitotoxicity in SCA23.

Antimicrobial peptides: linking partition, activity and high membrane-bound concentrations.

Bacteriocin AS-48 binding to model membranes and pore formation as revealed by coarse-grained simulations.

Benchmark of Schemes for Multiscale Molecular Dynamics Simulations.

Cell-penetrating peptides and antimicrobial peptides: how different are they?

Ceramides bind VDAC2 to trigger mitochondrial apoptosis

Characterization of glycoinositolphosphoryl ceramide structure mutant strains of Cryptococcus neoformans

Coarse-Grained Parameterization of Nucleotide Cofactors and Metabolites: Protonation Constants, Partition Coefficients, and Model Topologies

Defined lipid analogues induce transient channels to facilitate drug-membrane traversal and circumvent cancer therapy resistance

Dry Martini, a coarse-grained force field for lipid membrane simulations with implicit solvent

Escherichia coli cell surface perturbation and disruption induced by antimicrobial peptides BP100 and pepR

Exchange pathways of plastoquinone and plastoquinol in the photosystem II complex.

High-Throughput Simulations Reveal Membrane-Mediated Effects of Alcohols on MscL Gating.

How to address CPP and AMP translocation? Methods to detect and quantify peptide internalization in vitro and in vivo (Review).

Hsc70-4 Deforms Membranes to Promote Synaptic Protein Turnover by Endosomal Microautophagy.

Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse-Grain Force Field

Interaction between dengue virus fusion peptide and lipid bilayers depends on peptide clustering

Interaction of the Dengue virus fusion peptide with membranes assessed by NMR: The essential role of the envelope protein Trp101 for membrane fusion

Lipid organization of the plasma membrane

Lipid-Protein Interactions Are Unique Fingerprints for Membrane Proteins.

Parameters for Martini sterols and hopanoids based on a virtual-site description

Pitfalls of the Martini Model

Prediction of Thylakoid Lipid Binding Sites on Photosystem II.

Prediction of antibacterial activity from physicochemical properties of antimicrobial peptides.

Structure-Stability-Function Mechanistic Links in the Anti-Measles Virus Action of Tocopherol-Derivatized Peptide Nanoparticles

Synergistic effects of the membrane actions of cecropin-melittin antimicrobial hybrid peptide BP100

The N-terminal amphipathic helix of Pex11p self-interacts to induce membrane remodelling during peroxisome fission.

The mechanisms and quantification of the selective permeability in transport across biological barriers: the example of kyotorphin.

Using zeta-potential measurements to quantify peptide partition to lipid membranes