University of Cagliari
Molecular Basis of Filtering Carbapenems by Porins from β-Lactam-resistant Clinical Strains of Escherichia coli
2016-01-01 Bajaj, A; Scorciapino, MARIANO ANDREA; Moynie, L; Page, Mgp; Naismith, Jh; Ceccarelli, Matteo; Winterhalter, M.
MOMP from Campylobacter jejuni Is a Trimer of 18-Stranded β-Barrel Monomers with a Ca(2+) Ion Bound at the Constriction Zone
2016-01-01 Ferrara L. G., M; Wallat G., D; Moynié, L; Dhanasekar N., N; Aliouane, S; ACOSTA GUTIERREZ, Silvia; Pagès J., M; Bolla J., M; Winterhalter, M; Ceccarelli, Matteo; Naismith, J. H.
Macroscopic electric field inside water-filled biological nanopores
2016-01-01 ACOSTA GUTIERREZ, Silvia; Bodrenko, Igor; Scorciapino, MARIANO ANDREA; Ceccarelli, Matteo
The singular behavior of a b-type semi-synthetic two branched polypeptide: three-dimensional structure and mode of action
2016-01-01 Manzo, G; Serra, Ilaria; Pira, Alessandro; Pintus, M; Ceccarelli, Matteo; Casu, Mariano; Rinaldi, Andrea; Scorciapino, MARIANO ANDREA
Internal electric field of Gram- unspecific porins directs the choreography of antibiotic translocation
2016-01-01 Scorciapino, M. A.; D'Agostino, Tommaso; Acosta-Gutierrez, S.; Bodrenko, I.; Ceccarelli, M.
Unexpected modifications of cysteines in VDAC3: indication that VDAC3 may signal the mitochondrial intermembrane redox state
2016-01-01 Reina, S.; Checchetto, V.; Saletti, R.; Gupta, A.; Chaturvedi, D.; Guardiani, C.; Guarino, F.; Scorciapino, M. A.; Magrì, A.; Foti, S.; Ceccarelli, M.; Messina, A. A.; Mahalakshmi, R.; Szabo, I.; De Pinto, V.
Can modification of VDAC(s) cysteine residues act as a sensor of oxidative state of the intermembrane space of mitochondria?
2016-01-01 Reina, S.; Checchetto, V.; Saletti, R.; Gupta, A.; Chaturvedi, D.; Guardiani, C.; Guarino, F.; Scorciapino, M. A.; Magrì, A.; Foti, S.; Ceccarelli, M.; Messina, A. A.; Mahalakshmi, R.; Szabo, I.; De Pinto, V.
Water-based screening of antibiotics permeability
2016-01-01 ACOSTA GUTIERREZ, Silvia; Scorciapino, M. A.; Bodrenko, Igor; Ceccarelli, M.
Exploiting the porin pathway for polar compound delivery into Gram-negative bacteria
2016-01-01 Scorciapino, MARIANO ANDREA; D'Agostino, Tommaso; ACOSTA GUTIERREZ, Silvia; Malloci, Giuliano; Bodrenko, Igor; Ceccarelli, Matteo
A computational study of ion current modulation in hVDAC3 induced by disulfide bonds
2016-01-01 Guardiani, Carlo; Leggio, L; Scorciapino, MARIANO ANDREA; De Pinto, V; Ceccarelli, Matteo
VDAC3 as a sensor of oxidative state of the intermembrane space of mitochondria: the putative role of cysteine residue modifications
2016-01-01 Reina, S; Checchetto, V; Saletti, R; Gupta, A; Chaturvedi, D; Guardiani, Carlo; Guarino, F; Scorciapino, MARIANO ANDREA; Magrì, A; Foti, S; Ceccarelli, Matteo; Messina, Ma; Mahalakshmi, R; Szabo, I; De Pinto, V.
Physical methods to quantify small antibiotic molecules uptake into Gram-negative bacteria
2015-01-01 Winterhalter, M; Ceccarelli, Matteo
Small-molecule transport by CarO, an abundant eight-stranded β-barrel outer membrane protein from Acinetobacter baumannii
2015-01-01 Zahn, M; D'Agostino, Tommaso; Eren, E; Basle, A; Ceccarelli, Matteo; Van den Berg, B.
Analysis of fast channel blockage: revealing substrate binding in the microsecond range
2015-01-01 Bodrenko, I; Bajaj, H; Ruggerone, Paolo; Winterhalter, M; Ceccarelli, Matteo
A database of force-field parameters, dynamics, and properties of antimicrobial compounds
2015-01-01 Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Serra, Giovanni; Bosin, Andrea; Ruggerone, Paolo; Ceccarelli, Matteo
The N-Terminal peptides of the three human isoforms of the mitochondrial voltage-dependent anion channel have different helical propensities
2015-01-01 Guardiani, Carlo; Scorciapino, MARIANO ANDREA; Amodeo, GIUSEPPE FEDERICO; Grdadolnik, Joze; Pappalardo, G; De Pinto, V; Ceccarelli, Matteo; Casu, Mariano
Filtering with electric field: the case of E. coli porins
2015-01-01 Acosta Gutierrez, S; Scorciapino, MARIANO ANDREA; Bodrenko, I; Ceccarelli, Matteo
Molecular basis of substrate translocation through the outer membrane channel OprD of Pseudomonas aeruginosa
2015-01-01 Samanta, Susruta; Scorciapino, MARIANO ANDREA; Ceccarelli, Matteo
The open state of human VDAC isoforms compared through MD simulations
2014-01-01 Amodeo, G; Scorciapino, MARIANO ANDREA; De Pinto, V; Ceccarelli, Matteo
Transport of Antibiotics through the Substrate Specific OprD Channel of Pseudomonas Aeruginosa
2014-01-01 Samanta, S; Ceccarelli, Matteo
Charged residues distribution modulates selectivity of the open state of human isoforms of the voltage dependent anion-selective channel
2014-01-01 Amodeo, GIUSEPPE FEDERICO; Scorciapino, MARIANO ANDREA; Messina, A; De Pinto, V; Ceccarelli, Matteo
Role of Antibiotic Side Chains in Uptake Through OmpPst1 Channel from Providencia Stuartii
2014-01-01 Bajaj, Harsha; Colletier Jacques, Philippe; Pages Jean, Marie; Ceccarelli, Matteo; Winterhalter, Mathias
Antibiotic Transport through Porins
2014-01-01 Bajaj, Harsha; Ceccarelli, Matteo; Mahendran Kozhinjampara, Radhakrishnan; James Chloe, E.; Pages Jean, Marie; Winterhalter, Mathias
Different molecular mechanisms of inhibition of bovine viral diarrhea virus and hepatitis C virus RNA-dependent RNA polymerases by a novel benzimidazole
2013-01-01 Asthana, S.; Shukla, S.; Vargiu, ATTILIO VITTORIO; Ceccarelli, Matteo; Ruggerone, Paolo; Paglietti, G.; Marongiu, M. E.; Blois, SYLVAIN SERGE DANIEL; Giliberti, Gabriele; La Colla, P.
Deletion of β-strands 9 and 10 converts VDAC1 voltage dependence in an asymmetrical process
2013-01-01 S., Reina; A., Magri; M., Lolicato; F., Guarino; A., Impellizzeri; E., Maier; R., Benz; Ceccarelli, Matteo; De Pinto, V; Messinaa,
The Gating Mechanism of the Human Aquaporin 5 Revealed by Molecular Dynamics Simulations
2013-01-01 Janosi, L; Ceccarelli, Matteo
Structure-Function Paradigm in Human Myoglobin: How a Single-Residue Substitution Affects NO Reactivity at Low pO(2)
2013-01-01 Scorciapino, MARIANO ANDREA; Spiga, E; Vezzoli, A; Mrakic Sposta, S; Russo, R; Fink, B; Casu, Mariano; Gussoni, M; Ceccarelli, Matteo
MD simulations of plant hemoglobins: the hexa- to penta-coordinate structural transition
2012-01-01 Scorciapino, MARIANO ANDREA; Ceccarelli, Matteo
Antibiotic Permeation across the OmpF Channel: Modulation of the Affinity Site in the Presence of Magnesium
2012-01-01 Singh, Pr; Ceccarelli, Matteo; Lovelle, M; Winterhalter, M; Mahendran, Kr
Exploring Binding Properties of Agonists Interacting with a δ-Opioid Receptor
2012-01-01 Collu, F; Ceccarelli, Matteo; Ruggerone, Paolo
A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins
2012-01-01 Ceccarelli, Matteo; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo
Pathways to exit a receptor: a dynamical view of agonists - delta-opioids interaction
2011-01-01 Collu, F; Ceccarelli, Matteo; Ruggerone, Paolo
Point Mutation I261M Affects the Dynamics of BVDV and its Interaction with Benzimidazole Antiviral 227G
2011-01-01 Asthana, S; Shukla, S; Ruggerone, Paolo; Ceccarelli, Matteo; Giliberti, Gabriele; La Colla, P; Vargiu, ATTILIO VITTORIO
Pathways to Exit a Receptor: Agonists and Delta-Oppioid Studied via Computer Simulations
2011-01-01 Collu, F; Ceccarelli, Matteo; Ruggerone, Paolo
MD simulations of plant hemoglobins: the hexa- to penta-coordinate structural transition
2011-01-01 Scorciapino, MARIANO ANDREA; Vallon, C; Ceccarelli, Matteo
Structural and functional characterization of a new double variant haemoglobin (HbG-Philadelphia/Duarte α268Asn→Lys β262Ala→Pro)
2011-01-01 Fais, Antonella; Casu, Mariano; Ruggerone, Paolo; Ceccarelli, Matteo; Porcu, S; Era, Benedetta; Anedda, R; Sollaino, Mc; Galanello, R; Corda, M.
Altered antibiotic transport in OmpC mutants isolated from a series of clinical strains of multi-drug resistant E.coli
2011-01-01 H., Lou; M., Chen; S. S., Black; S. R., Bushell; Ceccarelli, Matteo; T., Mach; K., Beis; A., Low; V. A., Bamford; I. R., Booth; H., Bayley; J. H., Naismith
Human myoglobins: paradigm of structure-function relation
2011-01-01 Scorciapino, MARIANO ANDREA; Casu, Mariano; Spiga, E; Ceccarelli, Matteo
Human myoglobin: two isoforms that differ at single residue. Their different dynamics suggest distinct and complementary role
2011-01-01 Scorciapino, MARIANO ANDREA; Spiga, E; Casu, Mariano; Ruggerone, Paolo; Ceccarelli, Matteo
Structural characterization of recombinant human myoglobin isoforms by 1H and 129Xe NMR and molecular dynamics simulations
2011-01-01 Gussoni, Maristella; Scorciapino, MARIANO ANDREA; Vezzoli, Alessandra; Anedda, Roberto; Greco, Fulvia; Ceccarelli, Matteo; Casu, Mariano
Transport properties of the human aquaporin HsAQP5
2011-01-01 Janosi, L; Ceccarelli, Matteo
Heme Proteins: The Role of Solvent on the Dynamics of Gates and Portals Revealed by MD Simulations
2010-01-01 Scorciapino, MARIANO ANDREA; Robertazzi, A; Casu, Mariano; Ruggerone, Paolo; Ceccarelli, Matteo
Using Molecular Simulations to Screen for Antibiotics with Enhanced Permeation Properties through Bacterial Pores
2010-01-01 Eric, Hajjar; Kumar, Amit; Mahendran, Kozhinjampara; Andrey, Bessonov; Mathias, Winterhalter; Ruggerone, Paolo; Ceccarelli, Matteo
Investigating reaction pathways in rare events simulations of antibiotics diffusion through protein channels
2010-01-01 Hajjar, E; Kumar, Amit; Ruggerone, Paolo; Ceccarelli, Matteo
Molecular Basis of Enrofloxacin Translocation through OmpF, an Outer Membrane Channel of Escherichia coli - When Binding Does Not Imply Translocation
2010-01-01 Kozhinjampara R., Mahendran; Eric, Hajjar; Tivadar, Mach; Marcos, Lovelle; Kumar, Amit; Isabel, Sousa; Enrico, Spiga; Helge, Weingart; Paula, Gameiro; Mathias, Winterhalter; Ceccarelli, Matteo
Towards screening for antibiotics with enhanced permeation properties through bacterial porins
2010-01-01 Hajjar, E; Bessonov, A; Molitor, A; Kumar, A; MAHENDRAN K., R; Winterhalter, M; PAGÈS J., M; Ruggerone, Paolo; Ceccarelli, Matteo
Role of providencia stuartii porins in beta-lactam resistance
2010-01-01 TRAN Q., T; MAHENDRAN K., R; Hajjar, E; Ceccarelli, Matteo; Regli, A; Winterhalter, M; Weingart, H; Pagès, J. M.
Molecular basis of enrofloxacin translocation through a bacterial porin – When binding does not imply translocation
2010-01-01 MAHENDRAN K., R; Hajjar, E; Mach, T; Lovelle, M; Sousa, I; Kumar, A; Spiga, E; Weingart, H; Gameiro, P; Winterhalter, M; Ceccarelli, Matteo
Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations
2010-01-01 Kumar, Amit; Hajjar, E; Ruggerone, Paolo; Ceccarelli, Matteo
Bridging time and length scales: from macroscopic flux to molecular mechanism of antibiotics diffusion through porins
2010-01-01 Hajjar, E; Mahendran, K; Kumar, Amit; Bessonov, A; Petrescu, M; Weingart, H; Ruggerone, Paolo; Winterhalter, M; Ceccarelli, Matteo
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