Ceccarelli M - Search Results

1

Molecular basis of substrate translocation through the outer membrane channel OprD of Pseudomonas aeruginosa.

Samanta S, Scorciapino MA, Ceccarelli M. Samanta S, et al. Among authors: ceccarelli m. Phys Chem Chem Phys. 2015 Oct 7;17(37):23867-76. doi: 10.1039/c5cp02844b. Epub 2015 Aug 26. Phys Chem Chem Phys. 2015. PMID: 26306922

2

CO escape from myoglobin with metadynamics simulations.

Ceccarelli M, Anedda R, Casu M, Ruggerone P. Ceccarelli M, et al. Proteins. 2008 May 15;71(3):1231-6. doi: 10.1002/prot.21817. Proteins. 2008. PMID: 18041761

3

Breathing motions of a respiratory protein revealed by molecular dynamics simulations.

Scorciapino MA, Robertazzi A, Casu M, Ruggerone P, Ceccarelli M. Scorciapino MA, et al. Among authors: ceccarelli m. J Am Chem Soc. 2009 Aug 26;131(33):11825-32. doi: 10.1021/ja9028473. J Am Chem Soc. 2009. PMID: 19653680

4

Heme proteins: the role of solvent in the dynamics of gates and portals.

Scorciapino MA, Robertazzi A, Casu M, Ruggerone P, Ceccarelli M. Scorciapino MA, et al. Among authors: ceccarelli m. J Am Chem Soc. 2010 Apr 14;132(14):5156-63. doi: 10.1021/ja909822d. J Am Chem Soc. 2010. PMID: 20095556

5

Molecular basis of enrofloxacin translocation through OmpF, an outer membrane channel of Escherichia coli--when binding does not imply translocation.

Mahendran KR, Hajjar E, Mach T, Lovelle M, Kumar A, Sousa I, Spiga E, Weingart H, Gameiro P, Winterhalter M, Ceccarelli M. Mahendran KR, et al. Among authors: ceccarelli m. J Phys Chem B. 2010 Apr 22;114(15):5170-9. doi: 10.1021/jp911485k. J Phys Chem B. 2010. PMID: 20349984

6

Molecular simulations reveal the mechanism and the determinants for ampicillin translocation through OmpF.

Kumar A, Hajjar E, Ruggerone P, Ceccarelli M. Kumar A, et al. Among authors: ceccarelli m. J Phys Chem B. 2010 Jul 29;114(29):9608-16. doi: 10.1021/jp9110579. J Phys Chem B. 2010. PMID: 20590090

7

Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations.

Kumar A, Hajjar E, Ruggerone P, Ceccarelli M. Kumar A, et al. Among authors: ceccarelli m. J Phys Condens Matter. 2010 Nov 17;22(45):454125. doi: 10.1088/0953-8984/22/45/454125. Epub 2010 Oct 29. J Phys Condens Matter. 2010. PMID: 21339612

8

Structural characterization of recombinant human myoglobin isoforms by (1)H and (129)Xe NMR and molecular dynamics simulations.

Gussoni M, Scorciapino MA, Vezzoli A, Anedda R, Greco F, Ceccarelli M, Casu M. Gussoni M, et al. Among authors: ceccarelli m. Biochim Biophys Acta. 2011 Dec;1814(12):1919-29. doi: 10.1016/j.bbapap.2011.06.014. Epub 2011 Jul 13. Biochim Biophys Acta. 2011. PMID: 21782983

9

A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins.

Ceccarelli M, Vargiu AV, Ruggerone P. Ceccarelli M, et al. J Phys Condens Matter. 2012 Mar 14;24(10):104012. doi: 10.1088/0953-8984/24/10/104012. Epub 2012 Feb 21. J Phys Condens Matter. 2012. PMID: 22353387

10

Structure-function paradigm in human myoglobin: how a single-residue substitution affects NO reactivity at low pO2.

Scorciapino MA, Spiga E, Vezzoli A, Mrakic-Sposta S, Russo R, Fink B, Casu M, Gussoni M, Ceccarelli M. Scorciapino MA, et al. Among authors: ceccarelli m. J Am Chem Soc. 2013 May 22;135(20):7534-44. doi: 10.1021/ja400213t. Epub 2013 May 10. J Am Chem Soc. 2013. PMID: 23631428

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