PROVASI, DAVIDE
PROVASI, DAVIDE
Promoting transparency and reproducibility in enhanced molecular simulations
2019 M. Bonomi, G. Bussi, C. Camilloni, G.A. Tribello, P. Banáš, A. Barducci, M. Bernetti, P.G. Bolhuis, S. Bottaro, D. Branduardi, R. Capelli, P. Carloni, M. Ceriotti, A. Cesari, H. Chen, W. Chen, F. Colizzi, S. De, M. De La Pierre, D. Donadio, V. Drobot, B. Ensing, A.L. Ferguson, M. Filizola, J.S. Fraser, H. Fu, P. Gasparotto, F. Luigi Gervasio, F. Giberti, A. Gil-Ley, T. Giorgino, G.T. Heller, G.M. Hocky, M. Iannuzzi, M. Invernizzi, K.E. Jelfs, A. Jussupow, E. Kirilin, A. Laio, V. Limongelli, K. Lindorff-Larsen, T. Löhr, F. Marinelli, L. Martin-Samos, M. Masetti, R. Meyer, A. Michaelides, C. Molteni, T. Morishita, M. Nava, C. Paissoni, E. Papaleo, M. Parrinello, J. Pfaendtner, P. Piaggi, G. Piccini, A. Pietropaolo, F. Pietrucci, S. Pipolo, D. Provasi, D. Quigley, P. Raiteri, S. Raniolo, J. Rydzewski, M. Salvalaglio, G. Cesare Sosso, V. Spiwok, J. Šponer, D.W.H. Swenson, P. Tiwary, O. Valsson, M. Vendruscolo, G.A. Voth, A. White
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
2009 M. Bonomi, D. Branduardi, G. Bussi, C. Camilloni, D. Provasi, P. Raiteri, D. Donadio, F. Marinelli, F. Pietrucci, R.A. Broglia, M. Parrinello
In vitro efficacy of a non-conventional (folding) HIV-1 protease inhibitor without selection of resistance
2009 S. Ferramosca, M. Lo Cicero, A.E. Laface, F. Sirianni, E. Cesana, D. Provasi, G. Tiana, M. Galli, M. Moroni, A. Clivio, R.A. Broglia, S. Rusconi
Identification and characterization of folding inhibitors of hen egg lysozyme : an example of a new paradigm of drug design
2009 M. Caldarini, F. Vasile, D. Provasi, R. Longhi, G. Tiana, R. A. Broglia
Atomistic simulations of the HIV-1 protease folding inhibition
2008 G. Verkhivker, G. Tiana, C. Camilloni, D. Provasi, R.A. Broglia
Exploring the Protein G Helix Free Energy Surface by Solute Tempering Metadynamics
2008 C. Camilloni, D. Provasi, G. Tiana, R.A. Broglia
Early events in protein folding : is there something more than hydrophobic burst?
2008 C. Camilloni, L. Sutto, D. Provasi, G. Tiana, R.A. Broglia
Metadynamic sampling of the free energy landscapes of proteins coupled with a Monte Carlo algorithm
2008 F. Marini, C. Camilloni, D. Provasi, R.A. Broglia, G. Tiana
The non-conventional (folding) protease inhibitor blocks the human immunodeficiency virus type-1 replication without evidence of resistance during in vitro passage
2008 S. Ferramosca, M. Lo Cicero, A.E. Laface, F. Sirianni, E. Cesana, D. Provasi, G. Tiana, M. Galli, M. Moroni, A. Clivio, R.A. Broglia, S. Rusconi
Low-throughput model design of protein folding inhibitors
2007 R.A. Broglia, G. Tiana, L. Sutto, D. Provasi, V. Perelli
Optical absorption of a green fluorescent protein variant : environment effects in a density functional study
2007 C. Camilloni, D. Provasi, G. Tiana, R.A. Broglia
Insight in the folding inhibition of the HIV--1 protease by a small peptide
2007 M. Bonomi, F. L. Gervasio, G. Tiana, D. Provasi, R. A. Broglia, M. Parrinello
A folding inhibitor of HIV-1 Protease as antiviral drug
2007 R.A. Broglia, G. Tiana, D. Provasi
A folding inhibitor of the HIV-1 Protease
2006 R. A. Broglia, D. Provasi, F. Vasile , G. Ottolina, R. Longhi, G. Tiana
The physics of protein folding and of non-conventional drug design : attacking AIDS with its own weapons
2006 Ricardo Americo Broglia, Guido Tiana, Ludovico Sutto, Davide Provasi, Fabio Simona
Design of a folding inhibitor of the HIV-1 protease
2005 G. Tiana, R.A. Broglia, L. Sutto, D. Provasi
The role of quantal fluctuations in the optical response of small metal clusters
2005 A. Fortini, M. Mazzola, A. Mina, D. Provasi, G. Colo', G. Onida, H.E. Roman, R.A. Broglia
Design of HIV-1-PR inhibitors which do not create resistance: blocking the folding of single monomers
2005 R. A. Broglia, G. Tiana, L. Sutto, D. Provasi, F. Simona
The role of quantal fluctuations in the optical response of small metal clusters
2005 A. Fortini, M. Mazzola, A. Mina, D. Provasi, G. Colo', G. Onida, H.E. Roman, R.A. Broglia
Simple models of protein folding and of non-conventional drug design
2004 R. A. Broglia, G. Tiana, D. Provasi