Functional rotation of the transporter AcrB: insights into drug extrusion from simulations R Schulz, AV Vargiu, F Collu, U Kleinekathöfer, P Ruggerone PLoS computational biology 6 (6), e1000806, 2010 | 111 | 2010 |
Effect of the F610A mutation on substrate extrusion in the AcrB transporter: explanation and rationale by molecular dynamics simulations AV Vargiu, F Collu, R Schulz, KM Pos, M Zacharias, U Kleinekathöfer, ... Journal of the American Chemical Society 133 (28), 10704-10707, 2011 | 99 | 2011 |
A nonradial coarse-grained potential for proteins produces naturally stable secondary structure elements D Alemani, F Collu, M Cascella, M Dal Peraro Journal of chemical theory and computation 6 (1), 315-324, 2010 | 60 | 2010 |
Recognition of imipenem and meropenem by the RND-transporter MexB studied by computer simulations F Collu, AV Vargiu, J Dreier, M Cascella, P Ruggerone Journal of the American Chemical Society 134 (46), 19146-19158, 2012 | 57 | 2012 |
Molecular dynamics computer simulations of multidrug RND efflux pumps P Ruggerone, AV Vargiu, F Collu, N Fischer, C Kandt Computational and Structural Biotechnology Journal 5 (6), e201302008, 2013 | 52 | 2013 |
Multidrug resistance and efflux pumps: insights from molecular dynamics simulations F Collu, M Cascella Current topics in medicinal chemistry 13 (24), 3165-3183, 2013 | 28 | 2013 |
Assembly of influenza hemagglutinin fusion peptides in a phospholipid bilayer by coarse-grained computer simulations F Collu, E Spiga, CD Lorenz, F Fraternali Frontiers in Molecular Biosciences 2, 66, 2015 | 11 | 2015 |
Exploring binding properties of agonists interacting with a δ-opioid receptor F Collu, M Ceccarelli, P Ruggerone PLoS One 7 (12), e52633, 2012 | 10 | 2012 |
Drug Design: Insights from atomistic simulations F Collu, E Spiga, A Kumar, E Hajjar, AV Vargiu, M Ceccarelli, ... IL NUOVO CIMENTO 32, C, N. 2, 2009 | 4 | 2009 |
Molecular Dynamics Simulations of Large Systems: The Case of Multidrug Efflux Pumps in Gram-negative Bacteria F Collu Verlag nicht ermittelbar, 2012 | | 2012 |