PAPALEO, ELENA
PAPALEO, ELENA
Comparative molecular dynamics simulations of mesophilic and cold-adapted homologous enzymes
2005 Papaleo, E; Riccardi, L; Fumasoni, I; Villa, C; Fantucci, P; DE GIOIA, L
Effects of Calcium Binding on Structure and Autolysis Regulation in Trypsins. A Molecular Dynamics Investigation
2005 Papaleo, E; Fantucci, P; DE GIOIA, L
Flexibility and enzymatic cold-adaptation: A comparative molecular dynamics investigation of the elastase family
2006 Papaleo, E; Riccardi, L; Villa, C; Fantucci, P; DE GIOIA, L
Optimization of electrostatics as a strategy for cold-adaptation: A case study of cold- and warm-active elastases
2007 Papaleo, E; Olufsen, M; DE GIOIA, L; Brandsdal, B
Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case
2009 Papaleo, E; Mereghetti, P; Fantucci, P; Grandori, R; DE GIOIA, L
Relevance of metal ions for lipase stability: Structural rearrangements induced in the Burkholderia glumae lipase by calcium depletion
2009 Invernizzi, G; Papaleo, E; Grandori, R; DE GIOIA, L; Lotti, M
Dynamic Properties of a Psychrophilic alpha-Amylase in Comparison with a Mesophilic Homologue
2009 Pasi, M; Riccardi, L; Fantucci, P; DE GIOIA, L; Papaleo, E
Structural and kinetic stability of the burkholderia glumae lipase
2010 Invernizzi, G; Papaleo, E; Grandori, R; DE GIOIA, L; Lotti, M
Molecular dynamics of Mesophilic-Like mutants of a Cold-Adapted enzyme: Insights into distal effects induced by the mutations
2011 Papaleo, E; Pasi, M; Tiberti, M; DE GIOIA, L
Dynamic properties of extremophilic subtilisin-like serine-proteases
2011 Tiberti, M; Papaleo, E
Compaction Properties of an Intrinsically Disordered Protein: Sic1 and Its Kinase-Inhibitor Domain
2011 Brocca, S; Testa, L; Sobott, F; Samalikova, M; Natalello, A; Papaleo, E; Lotti, M; DE GIOIA, L; Doglia, S; Alberghina, L; Grandori, R
C-terminal acidic domain of ubiquitin-conjugating enzymes: A multi-functional conserved intrinsically disordered domain in family 3 of E2 enzymes
2012 Arrigoni, A; Grillo, B; Vitriolo, A; DE GIOIA, L; Papaleo, E
Paths of long-range communication in the E2 enzymes of family 3: A molecular dynamics investigation
2012 Papaleo, E; Lindorff Larsen, K; DE GIOIA, L
Loop 7 of E2 enzymes: an ancestral conserved functional motif involved in the E2-mediated steps of the ubiquitination cascade
2012 Papaleo, E; Casiraghi, N; Arrigoni, A; Vanoni, M; Coccetti, P; DE GIOIA, L
Intramolecular interactions stabilizing compact conformations of the intrinsically disordered kinase-inhibitor domain of Sic1: a molecular-dynamics investigation
2012 Lambrughi, M; Papaleo, E; Testa, L; Brocca, S; DE GIOIA, L; Grandori, R
The role of the central flexible region on the aggregation and conformational properties of human ataxin-3
2012 Santambrogio, C; Frana, A; Natalello, A; Papaleo, E; Regonesi, M; Doglia, S; Tortora, P; Invernizzi, G; Grandori, R
Functional annotation of the mesophilic-like character of mutants in a cold-adapted enzyme by self-organising map analysis of their molecular dynamics
2012 Fraccalvieri, D; Tiberti, M; Pandini, A; Bonati, L; Papaleo, E
Reciprocal influence of protein domains in the cold-adapted acyl aminoacyl peptidase from Sporosarcina psychrophila
2013 Parravicini, F; Natalello, A; Papaleo, E; DE GIOIA, L; Doglia, S; Lotti, M; Brocca, S
Inhibitors of the Cdc34 acidic loop: A computational investigation integrating molecular dynamics, virtual screening and docking approaches
2014 Arrigoni, A; Bertini, L; De Gioia, L; Papaleo, E
Structural investigation of the cold-adapted acylaminoacyl peptidase from Sporosarcina psychrophila by atomistic simulations and biophysical methods
2014 Papaleo, E; Parravicini, F; Grandori, R; DE GIOIA, L; Brocca, S