RUGGERONE, PAOLO
RUGGERONE, PAOLO
Folding and Self-Assembly of the TatA Translocation Pore Based on a Charge Zipper Mechanism.
2013 Torsten H Walther; Christina Gottselig; Stephan L Grage; Moritz Wolf; Attilio V Vargiu; Marco J Klein; Stefanie Vollmer; Sebastian Prock; Mareike Hartmann; Sergiy Afonin; Eva Stockwald; Hartmut Heinzmann; Olga V Nolandt; Wolfgang Wenzel; Paolo Ruggerone;Anne S Ulrich
A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins
2012 Ceccarelli, M; Vargiu, A; Ruggerone, P
A novel dendrimeric peptide with antimicrobial properties: structure-function analysis of SB056
2012 Mariano A Scorciapino; Giovanna Pirri; Attilio V Vargiu; Paolo Ruggerone; Andrea Giuliani; Mariano Casu; Jochen Buerck; Parvesh Wadhwani; Anne S Ulrich;Andrea C Rinaldi
Advanced Computational Methods in Molecular Medicine
2012 Giorgetti, Alejandro; Ruggerone, Paolo; Pantano, Sergio; Carloni, Paolo
Recognition of Imipenem and Meropenem by the RND-Transporter MexB Studied by Computer Simulations.
2012 Collu, Francesca; V Vargiu, Attilio; Dreier, Jürg; Cascella, Michele; Ruggerone, Paolo
Effect of the F610A mutation on substrate extrusion in the AcrB transporter: explanation and rationale by molecular dynamics simulations.
2011 V Vargiu, Attilio; Collu, Francesca; Schulz, Robert; M Pos, Klaas; Zacharias, Martin; Kleinekathöfer, Ulrich; Ruggerone, Paolo
Molecular motions in drug design: the coming age of the metadynamics method.
2011 BIARNÉS X; BONGARZONE S; VARGIU A.V; CARLONI P; RUGGERONE P
Role of Water during the Extrusion of Substrates by the Efflux Transporter AcrB
2011 Schulz, Robert; Vargiu, Attilio V.; Ruggerone, Paolo; Kleinekathoefer, Ulrich
Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations
2010 Schulz, Robert; Vargiu Attilio, V; Collu, Francesca; Kleinekathoefer, Ulrich; Ruggerone, Paolo
Heme Proteins: The Role of Solvent in the Dynamics of Gates and Portals
2010 Scorciapino Mariano, Andrea; Robertazzi, Arturo; Casu, Mariano; Ruggerone, Paolo; Ceccarelli, Matteo
Molecular Simulations Reveal the Mechanism and the Determinants for Ampicillin Trans location through OmpF
2010 Kumar, Amit; Hajjar, Eric; Ruggerone, Paolo; Ceccarelli, Matteo
Toward Screening for Antibiotics with Enhanced Permeation Properties through Bacterial Porins
2010 Hajjar, Eric; Bessonov, Andrey; Molitor, Alexander; Kumar, Amit; Mahendran Kozhinjampara, R; Winterhalter, Mathias; Pages, Jeanmarie; Ruggerone, Paolo; Ceccarelli, Matteo
Breathing Motions of a Respiratory Protein Revealed by Molecular Dynamics Simulations
2009 Mariano Andrea Scorciapino; Arturo Robertazzi; Mariano Casu; Paolo Ruggerone; Matteo Ceccarelli
CO escape from myoglobin with metadynamics simulations
2008 Ceccarelli, M; Anedda, R; Casu, M; Ruggerone, P
Dissociation of minor groove binders from DNA: insights from metadynamics simulations
2008 Vargiu, Av; Ruggerone, P; Magistrato, A; Carloni, P
Evidences of Xenon-Induced Structural Changes in the Active Site of Cyano-MetMyoglobins: A H-1 NMR Study
2008 Anedda, R; Era, B; Casu, M; Fais, A; Ceccarelli, M; Corda, M; Ruggerone, P
Facilitated permeation of antibiotics across membrane channels - Interaction of the quinolone moxifloxacin with the OmpF channel
2008 Mach, T; Neves, P; Spiga, E; Weingart, H; Winterhalter, M; Ruggerone, P; Ceccarelli, M; Gameiro, P
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure
2008 Spiegel, K; Magistrato, A; Maurer, P; Ruggerone, P; Rothlisberger, U; Carloni, P; Reedijk, J; Klein, Ml
Physical Insights into Permeation of and Resistance to Antibiotics in Bacteria
2008 Ceccarelli, M; Ruggerone, P
Sliding of alkylating anticancer drugs along the minor groove of DNA: New insights on sequence selectivity
2008 Vargiu, AV; Ruggerone, P; Magistrato, A; Carloni, P
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Folding and Self-Assembly of the TatA Translocation Pore Based on a Charge Zipper Mechanism. | 1-gen-2013 | Torsten H Walther; Christina Gottselig; Stephan L Grage; Moritz Wolf; Attilio V Vargiu; Marco J Klein; Stefanie Vollmer; Sebastian Prock; Mareike Hartmann; Sergiy Afonin; Eva Stockwald; Hartmut Heinzmann; Olga V Nolandt; Wolfgang Wenzel; Paolo Ruggerone;Anne S Ulrich | |
| A kinetic Monte Carlo approach to investigate antibiotic translocation through bacterial porins | 1-gen-2012 | Ceccarelli, M; Vargiu, A; Ruggerone, P | |
| A novel dendrimeric peptide with antimicrobial properties: structure-function analysis of SB056 | 1-gen-2012 | Mariano A Scorciapino; Giovanna Pirri; Attilio V Vargiu; Paolo Ruggerone; Andrea Giuliani; Mariano Casu; Jochen Buerck; Parvesh Wadhwani; Anne S Ulrich;Andrea C Rinaldi | |
| Advanced Computational Methods in Molecular Medicine | 1-gen-2012 | Giorgetti, Alejandro; Ruggerone, Paolo; Pantano, Sergio; Carloni, Paolo | |
| Recognition of Imipenem and Meropenem by the RND-Transporter MexB Studied by Computer Simulations. | 1-gen-2012 | Collu, Francesca; V Vargiu, Attilio; Dreier, Jürg; Cascella, Michele; Ruggerone, Paolo | |
| Effect of the F610A mutation on substrate extrusion in the AcrB transporter: explanation and rationale by molecular dynamics simulations. | 1-gen-2011 | V Vargiu, Attilio; Collu, Francesca; Schulz, Robert; M Pos, Klaas; Zacharias, Martin; Kleinekathöfer, Ulrich; Ruggerone, Paolo | |
| Molecular motions in drug design: the coming age of the metadynamics method. | 1-gen-2011 | BIARNÉS X; BONGARZONE S; VARGIU A.V; CARLONI P; RUGGERONE P | |
| Role of Water during the Extrusion of Substrates by the Efflux Transporter AcrB | 1-gen-2011 | Schulz, Robert; Vargiu, Attilio V.; Ruggerone, Paolo; Kleinekathoefer, Ulrich | |
| Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations | 1-gen-2010 | Schulz, Robert; Vargiu Attilio, V; Collu, Francesca; Kleinekathoefer, Ulrich; Ruggerone, Paolo | |
| Heme Proteins: The Role of Solvent in the Dynamics of Gates and Portals | 1-gen-2010 | Scorciapino Mariano, Andrea; Robertazzi, Arturo; Casu, Mariano; Ruggerone, Paolo; Ceccarelli, Matteo | |
| Molecular Simulations Reveal the Mechanism and the Determinants for Ampicillin Trans location through OmpF | 1-gen-2010 | Kumar, Amit; Hajjar, Eric; Ruggerone, Paolo; Ceccarelli, Matteo | |
| Toward Screening for Antibiotics with Enhanced Permeation Properties through Bacterial Porins | 1-gen-2010 | Hajjar, Eric; Bessonov, Andrey; Molitor, Alexander; Kumar, Amit; Mahendran Kozhinjampara, R; Winterhalter, Mathias; Pages, Jeanmarie; Ruggerone, Paolo; Ceccarelli, Matteo | |
| Breathing Motions of a Respiratory Protein Revealed by Molecular Dynamics Simulations | 1-gen-2009 | Mariano Andrea Scorciapino; Arturo Robertazzi; Mariano Casu; Paolo Ruggerone; Matteo Ceccarelli | |
| CO escape from myoglobin with metadynamics simulations | 1-gen-2008 | Ceccarelli, M; Anedda, R; Casu, M; Ruggerone, P | |
| Dissociation of minor groove binders from DNA: insights from metadynamics simulations | 1-gen-2008 | Vargiu, Av; Ruggerone, P; Magistrato, A; Carloni, P | |
| Evidences of Xenon-Induced Structural Changes in the Active Site of Cyano-MetMyoglobins: A H-1 NMR Study | 1-gen-2008 | Anedda, R; Era, B; Casu, M; Fais, A; Ceccarelli, M; Corda, M; Ruggerone, P | |
| Facilitated permeation of antibiotics across membrane channels - Interaction of the quinolone moxifloxacin with the OmpF channel | 1-gen-2008 | Mach, T; Neves, P; Spiga, E; Weingart, H; Winterhalter, M; Ruggerone, P; Ceccarelli, M; Gameiro, P | |
| Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure | 1-gen-2008 | Spiegel, K; Magistrato, A; Maurer, P; Ruggerone, P; Rothlisberger, U; Carloni, P; Reedijk, J; Klein, Ml | |
| Physical Insights into Permeation of and Resistance to Antibiotics in Bacteria | 1-gen-2008 | Ceccarelli, M; Ruggerone, P | |
| Sliding of alkylating anticancer drugs along the minor groove of DNA: New insights on sequence selectivity | 1-gen-2008 | Vargiu, AV; Ruggerone, P; Magistrato, A; Carloni, P |