CECCARELLI, MATTEO
CECCARELLI, MATTEO
DIPARTIMENTO DI FISICA
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
A concerted variational strategy for investigating rare events
2003-01-01 D., Passerone; Ceccarelli, Matteo; M., Parrinello
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
a density functional normal mode calculation of a bacteriochlorophyll a derivative
2000-01-01 Ceccarelli, Matteo; M., Lutz; M., Marchi
A kinetic model for molecular diffusion through pores
2016-01-01 D'Agostino, Tommaso; Salis, Samuele; Ceccarelli, Matteo
A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins
2012-01-01 Ceccarelli, Matteo; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo
A Molecular Approach to Ligand-Receptor Interaction
2009-01-01 Ceccarelli, Matteo; Collu, F; Ruggerone, Paolo
A perspective on the modulation of plant and animal two pore channels (TPCs) by the flavonoid naringenin
2019-01-01 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.
A second case of hemoglobin Duarte [beta62 (E6) Ala→Pro]: New approach for the structural and functional characterization
2005-01-01 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
2021-01-01 Molteni, Elena; Onida, Giovanni; Ceccarelli, Matteo; Cappellini, Giancarlo
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
An ab initio force field for teh cofactors of bacterial photosynthesis
2003-01-01 Ceccarelli, Matteo; P., Procacci; M., Marchi
An ab initio force field for the cofactors of bacterial photosynthesis
2006-01-01 Ceccarelli, Matteo; Procacci, P; Marchi, M.
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
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
Antibiotic Transport through Porins
2014-01-01 Bajaj, Harsha; Ceccarelli, Matteo; Mahendran Kozhinjampara, Radhakrishnan; James Chloe, E.; Pages Jean, Marie; Winterhalter, Mathias
Antibiotics translocation through porins: an MD study
2007-01-01 Ceccarelli, Matteo; Spiga, E; Ruggerone, Paolo
Assessing the accuracy of metadynamics
2005-01-01 A., Laio; A., RODRIGUEZ FORTEA; F. L., Gervasio; Ceccarelli, Matteo; M., Parrinello
Bacterial outer membrane porins as electrostatic nanosieves: exploring transport rules of small polar molecules
2017-01-01 Bajaj, Harsha; ACOSTA GUTIERREZ, Silvia; Bodrenko, Igor; Malloci, Giuliano; Scorciapino, MARIANO ANDREA; Winterhalter, Mathias; Ceccarelli, Matteo
BIASED MOLECULAR DYNAMICS SIMULATIONS FOR FREE-ENERGY MAPPING: A COMPARISON ON THE KCSA CHANNEL AS A TEST CASE
2008-01-01 E., Piccinini; Ceccarelli, Matteo; F., Affinito; R., Brunetti; C., Jacoboni