List of works - Matteo Ceccarelli

A computational study of ion current modulation in hVDAC3 induced by disulfide bonds

scientific article published on 21 January 2016

Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs

scientific article published in 2021

Bacterial Outer Membrane Porins as Electrostatic Nanosieves: Exploring Transport Rules of Small Polar Molecules.

scientific article

Bridging timescales and length scales: from macroscopic flux to the molecular mechanism of antibiotic diffusion through porins.

scientific article published on February 2010

Complexes formed by the siderophore-based monosulfactam antibiotic BAL30072 and their interaction with the outer membrane receptor PiuA of P. aeruginosa

scientific article published on 11 January 2019

Deletion of β-strands 9 and 10 converts VDAC1 voltage-dependence in an asymmetrical process

scientific article

Diffusion of large particles through small pores: From entropic to enthalpic transport

scientific article published on 01 June 2019

Folded Structure and Membrane Affinity of the N-Terminal Domain of the Three Human Isoforms of the Mitochondrial Voltage-Dependent Anion-Selective Channel

scientific article published on 19 September 2018

Free energy calculations and molecular properties of substrate translocation through OccAB porins.

scientific article published on 15 March 2018

General Method to Determine the Flux of Charged Molecules through Nanopores Applied to β-Lactamase Inhibitors and OmpF.

scientific article

Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins

scientific article published on 17 August 2018

Getting Drugs through Small Pores: Exploiting the Porins Pathway in Pseudomonas aeruginosa

scientific article published on 08 August 2018

Glucose transport via the pseudomonad porin OprB: implications for the design of Trojan Horse anti-infectives

scientific article published on 01 April 2019

Molecular simulations reveal the mechanism and the determinants for ampicillin translocation through OmpF.

scientific article published in July 2010

Permeation of β-Lactamase Inhibitors through the General Porins of Gram-Negative Bacteria

scientific article published on 05 December 2020

Porins and small-molecule translocation across the outer membrane of Gram-negative bacteria

scientific article published on 02 December 2019

Sensing Single Molecule Penetration into Nanopores: Pushing the Time Resolution to the Diffusion Limit

scientific article published on 21 July 2017

Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations.

scientific article published on 29 October 2010

Structural insights into the main S-layer unit of Deinococcus radiodurans reveal a massive protein complex with porin-like features

scientific article published on 18 February 2020

The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model

scientific article published on 14 August 2019

The mechanism and energetics of a ligand-controlled hydrophobic gate in a mammalian two pore channel

scientific article published on 03 July 2020

List of works by Matteo Ceccarelli

A computational study of ion current modulation in hVDAC3 induced by disulfide bonds

Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs

Bacterial Outer Membrane Porins as Electrostatic Nanosieves: Exploring Transport Rules of Small Polar Molecules.

Bridging timescales and length scales: from macroscopic flux to the molecular mechanism of antibiotic diffusion through porins.

Complexes formed by the siderophore-based monosulfactam antibiotic BAL30072 and their interaction with the outer membrane receptor PiuA of P. aeruginosa

Deletion of β-strands 9 and 10 converts VDAC1 voltage-dependence in an asymmetrical process

Diffusion of large particles through small pores: From entropic to enthalpic transport

Folded Structure and Membrane Affinity of the N-Terminal Domain of the Three Human Isoforms of the Mitochondrial Voltage-Dependent Anion-Selective Channel

Free energy calculations and molecular properties of substrate translocation through OccAB porins.

General Method to Determine the Flux of Charged Molecules through Nanopores Applied to β-Lactamase Inhibitors and OmpF.

Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins

Getting Drugs through Small Pores: Exploiting the Porins Pathway in Pseudomonas aeruginosa

Glucose transport via the pseudomonad porin OprB: implications for the design of Trojan Horse anti-infectives

Molecular simulations reveal the mechanism and the determinants for ampicillin translocation through OmpF.

Permeation of β-Lactamase Inhibitors through the General Porins of Gram-Negative Bacteria

Porins and small-molecule translocation across the outer membrane of Gram-negative bacteria

Sensing Single Molecule Penetration into Nanopores: Pushing the Time Resolution to the Diffusion Limit

Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations.

Structural insights into the main S-layer unit of Deinococcus radiodurans reveal a massive protein complex with porin-like features

The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model

The mechanism and energetics of a ligand-controlled hydrophobic gate in a mammalian two pore channel