CECCARELLI, MATTEO

CECCARELLI, MATTEO  

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Risultati 1 - 20 di 137 (tempo di esecuzione: 0.013 secondi).
Titolo Data di pubblicazione Autore(i) Rivista Editore
A concerted variational strategy for investigating rare events 1-gen-2003 D., Passerone; Ceccarelli, Matteo; M., Parrinello THE JOURNAL OF CHEMICAL PHYSICS -
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 Molecular Approach to Ligand-Receptor Interaction 1-gen-2009 Ceccarelli, Matteo; Collu, F; Ruggerone, Paolo BIOPHYSICAL JOURNAL CELL PRESS
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 -
Breathing motions of a respiratory protein revealed by molecular dynamics simulation 1-gen-2009 Scorciapino, MARIANO ANDREA; Robertazzi, A; Casu, Mariano; Ruggerone, Paolo; Ceccarelli, Matteo JOURNAL OF THE AMERICAN CHEMICAL SOCIETY -
Bridging time and length scales: from macroscopic flux to molecular mechanism of antibiotics diffusion through porins 1-gen-2010 Hajjar, E; Mahendran, K; Kumar, Amit; Bessonov, A; Petrescu, M; Weingart, H; Ruggerone, Paolo; Winterhalter, M; Ceccarelli, Matteo BIOPHYSICAL JOURNAL -
Can modification of VDAC(s) cysteine residues act as a sensor of oxidative state of the intermembrane space of mitochondria? 1-gen-2016 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. BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS -
Charged residues distribution modulates selectivity of the open state of human isoforms of the voltage dependent anion-selective channel 1-gen-2014 Amodeo, GIUSEPPE FEDERICO; Scorciapino, MARIANO ANDREA; Messina, A; De Pinto, V; Ceccarelli, Matteo PLOS ONE -
CO escape from myoglobin with metadynamics simulations 1-gen-2008 Ceccarelli, Matteo; Anedda, R; Casu, Mariano; Ruggerone, Paolo PROTEINS -