| Assessing the accuracy of metadynamics A Laio, A Rodriguez-Fortea, FL Gervasio, M Ceccarelli, M Parrinello The journal of physical chemistry B 109 (14), 6714-6721, 2005 | 610 | 2005 |
| Porins and small-molecule translocation across the outer membrane of Gram-negative bacteria J Vergalli, IV Bodrenko, M Masi, L Moynié, S Acosta-Gutiérrez, ... Nature Reviews Microbiology 18 (3), 164-176, 2020 | 305 | 2020 |
| Water rotational relaxation and diffusion in hydrated lysozyme M Marchi, F Sterpone, M Ceccarelli Journal of the American Chemical Society 124 (23), 6787-6791, 2002 | 275 | 2002 |
| Interaction of zwitterionic penicillins with the OmpF channel facilitates their translocation C Danelon, EM Nestorovich, M Winterhalter, M Ceccarelli, SM Bezrukov Biophysical journal 90 (5), 1617-1627, 2006 | 196 | 2006 |
| Altered antibiotic transport in OmpC mutants isolated from a series of clinical strains of multi-drug resistant E. coli H Lou, M Chen, SS Black, SR Bushell, M Ceccarelli, T Mach, K Beis, ... PloS one 6 (10), e25825, 2011 | 149 | 2011 |
| Getting drugs into Gram-negative bacteria: rational rules for permeation through general porins S Acosta-Gutiérrez, L Ferrara, M Pathania, M Masi, J Wang, I Bodrenko, ... ACS infectious diseases 4 (10), 1487-1498, 2018 | 132 | 2018 |
| Microscopic mechanism of antibiotics translocation through a porin M Ceccarelli, C Danelon, A Laio, M Parrinello Biophysical journal 87 (1), 58-64, 2004 | 124 | 2004 |
| Molecular basis of enrofloxacin translocation through OmpF, an outer membrane channel of Escherichia coli-when binding does not imply translocation KR Mahendran, E Hajjar, T Mach, M Lovelle, A Kumar, I Sousa, E Spiga, ... The journal of physical chemistry B 114 (15), 5170-5179, 2010 | 120 | 2010 |
| An ab initio force field for the cofactors of bacterial photosynthesis M Ceccarelli, P Procacci, M Marchi Journal of computational chemistry 24 (2), 129-142, 2003 | 106 | 2003 |
| Bacterial outer membrane porins as electrostatic nanosieves: exploring transport rules of small polar molecules H Bajaj, S Acosta Gutierrez, I Bodrenko, G Malloci, MA Scorciapino, ... ACS nano 11 (6), 5465-5473, 2017 | 94 | 2017 |
| Dynamics of hydration in hen egg white lysozyme F Sterpone, M Ceccarelli, M Marchi Journal of molecular biology 311 (2), 409-419, 2001 | 91 | 2001 |
| Molecular basis of filtering carbapenems by porins from β-lactam-resistant clinical strains of Escherichia coli H Bajaj, MA Scorciapino, L Moynié, MGP Page, JH Naismith, M Ceccarelli, ... Journal of Biological Chemistry 291 (6), 2837-2847, 2016 | 88 | 2016 |
| Facilitated Permeation of Antibiotics across Membrane Channels− Interaction of the Quinolone Moxifloxacin with the OmpF Channel T Mach, P Neves, E Spiga, H Weingart, M Winterhalter, P Ruggerone, ... Journal of the American Chemical Society 130 (40), 13301-13309, 2008 | 88 | 2008 |
| The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model L Moynié, S Milenkovic, GLA Mislin, V Gasser, G Malloci, E Baco, ... Nature communications 10 (1), 3673, 2019 | 87 | 2019 |
| A concerted variational strategy for investigating rare events D Passerone, M Ceccarelli, M Parrinello The Journal of chemical physics 118 (5), 2025-2032, 2003 | 87 | 2003 |
| VDAC3 as a sensor of oxidative state of the intermembrane space of mitochondria: the putative role of cysteine residue modifications S Reina, V Checchetto, R Saletti, A Gupta, D Chaturvedi, C Guardiani, ... Oncotarget 7 (3), 2249, 2016 | 85 | 2016 |
| Implication of porins in β-lactam resistance of Providencia stuartii QT Tran, KR Mahendran, E Hajjar, M Ceccarelli, A Davin-Regli, ... Journal of Biological Chemistry 285 (42), 32273-32281, 2010 | 83 | 2010 |
| The gating mechanism of the human aquaporin 5 revealed by molecular dynamics simulations L Janosi, M Ceccarelli PLoS One 8 (4), e59897, 2013 | 81 | 2013 |
| Antibiotic permeation across the OmpF channel: modulation of the affinity site in the presence of magnesium P Raj Singh, M Ceccarelli, M Lovelle, M Winterhalter, KR Mahendran The Journal of Physical Chemistry B 116 (15), 4433-4438, 2012 | 78 | 2012 |
| Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations A Kumar, E Hajjar, P Ruggerone, M Ceccarelli Journal of Physics: Condensed Matter 22 (45), 454125, 2010 | 72 | 2010 |
