CECCARELLI, MATTEO

CECCARELLI, MATTEO  

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Titolo Data di pubblicazione Autore(i) Rivista Editore
A computational study of ion current modulation in hVDAC3 induced by disulfide bonds 1-gen-2016 Guardiani, Carlo; Leggio, L; Scorciapino, MARIANO ANDREA; De Pinto, V; Ceccarelli, Matteo BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES -
A concerted variational strategy for investigating rare events 1-gen-2003 D., Passerone; Ceccarelli, Matteo; M., Parrinello THE JOURNAL OF CHEMICAL PHYSICS -
A database of force-field parameters, dynamics, and properties of antimicrobial compounds 1-gen-2015 Malloci, Giuliano; Vargiu, ATTILIO VITTORIO; Serra, Giovanni; Bosin, Andrea; Ruggerone, Paolo; Ceccarelli, Matteo MOLECULES -
a density functional normal mode calculation of a bacteriochlorophyll a derivative 1-gen-2000 Ceccarelli, Matteo; M., Lutz; M., Marchi JOURNAL OF THE AMERICAN CHEMICAL SOCIETY -
A kinetic model for molecular diffusion through pores 1-gen-2016 D'Agostino, Tommaso; Salis, Samuele; Ceccarelli, Matteo BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES -
A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins 1-gen-2012 Ceccarelli, Matteo; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo JOURNAL OF PHYSICS. CONDENSED MATTER -
A Molecular Approach to Ligand-Receptor Interaction 1-gen-2009 Ceccarelli, Matteo; Collu, F; Ruggerone, Paolo BIOPHYSICAL JOURNAL CELL PRESS
A perspective on the modulation of plant and animal two pore channels (TPCs) by the flavonoid naringenin 1-gen-2019 Benkerrou, D.; Minicozzi, V.; Gradogna, A.; Milenkovic, S.; Bodrenko, I. V.; Festa, M.; Lagostena, L.; Cornara, L.; D'Amore, A.; Ceccarelli, M.; Filippini, Alberto; Carpaneto, A. BIOPHYSICAL CHEMISTRY -
A second case of hemoglobin Duarte [beta62 (E6) Ala→Pro]: New approach for the structural and functional characterization 1-gen-2005 Maccioni, A; Anedda, R; Era, Benedetta; Sollaino, Mc; Ceccarelli, Matteo; Fais, Antonella; Casu, Mariano - -
Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs 1-gen-2021 Molteni, Elena; Onida, Giovanni; Ceccarelli, Matteo; Cappellini, Giancarlo SYMMETRY -
Altered antibiotic transport in OmpC mutants isolated from a series of clinical strains of multi-drug resistant E.coli 1-gen-2011 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 PLOS ONE -
An ab initio force field for teh cofactors of bacterial photosynthesis 1-gen-2003 Ceccarelli, Matteo; P., Procacci; M., Marchi JOURNAL OF COMPUTATIONAL CHEMISTRY -
An ab initio force field for the cofactors of bacterial photosynthesis 1-gen-2006 Ceccarelli, Matteo; Procacci, P; Marchi, M. JOURNAL OF COMPUTATIONAL CHEMISTRY -
Analysis of fast channel blockage: revealing substrate binding in the microsecond range 1-gen-2015 Bodrenko, I; Bajaj, H; Ruggerone, Paolo; Winterhalter, M; Ceccarelli, Matteo ANALYST -
Antibiotic Permeation across the OmpF Channel: Modulation of the Affinity Site in the Presence of Magnesium 1-gen-2012 Singh, Pr; Ceccarelli, Matteo; Lovelle, M; Winterhalter, M; Mahendran, Kr JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Antibiotic Transport through Porins 1-gen-2014 Bajaj, Harsha; Ceccarelli, Matteo; Mahendran Kozhinjampara, Radhakrishnan; James Chloe, E.; Pages Jean, Marie; Winterhalter, Mathias BIOPHYSICAL JOURNAL -
Antibiotics translocation through porins: an MD study 1-gen-2007 Ceccarelli, Matteo; Spiga, E; Ruggerone, Paolo BIOPHYSICAL JOURNAL -
Assessing the accuracy of metadynamics 1-gen-2005 A., Laio; A., RODRIGUEZ FORTEA; F. L., Gervasio; Ceccarelli, Matteo; M., Parrinello JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL -
Bacterial outer membrane porins as electrostatic nanosieves: exploring transport rules of small polar molecules 1-gen-2017 Bajaj, Harsha; ACOSTA GUTIERREZ, Silvia; Bodrenko, Igor; Malloci, Giuliano; Scorciapino, MARIANO ANDREA; Winterhalter, Mathias; Ceccarelli, Matteo ACS NANO -
BIASED MOLECULAR DYNAMICS SIMULATIONS FOR FREE-ENERGY MAPPING: A COMPARISON ON THE KCSA CHANNEL AS A TEST CASE 1-gen-2008 E., Piccinini; Ceccarelli, Matteo; F., Affinito; R., Brunetti; C., Jacoboni JOURNAL OF CHEMICAL THEORY AND COMPUTATION -