CECCARELLI, MATTEO
CECCARELLI, MATTEO
DIPARTIMENTO DI FISICA
A concerted variational strategy for investigating rare events
2003-01-01 D., Passerone; Ceccarelli, Matteo; M., Parrinello
a density functional normal mode calculation of a bacteriochlorophyll a derivative
2000-01-01 Ceccarelli, Matteo; M., Lutz; M., Marchi
A Molecular Approach to Ligand-Receptor Interaction
2009-01-01 Ceccarelli, Matteo; Collu, F; Ruggerone, Paolo
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
Breathing motions of a respiratory protein revealed by molecular dynamics simulation
2009-01-01 Scorciapino, MARIANO ANDREA; Robertazzi, A; Casu, Mariano; 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
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.
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
CO escape from myoglobin with metadynamics simulations
2008-01-01 Ceccarelli, Matteo; Anedda, R; Casu, Mariano; Ruggerone, Paolo