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Bioorganic & Medicinal Chemistry|August 21, 2010
Insights into MAPK p38alpha DFG flip mechanism by accelerated molecular dynamicsFederico Filomia, Francesca De Rienzo, M Cristina Menziani
Chemical Biology & Drug Design|May 31, 2012
Modeling the binding affinity of p38α MAP kinase inhibitors by partial least squares regressionNikita Basant, Caterina Durante, Marina Cocchi, et al.
The Journal of Physical Chemistry. B|June 28, 2006
A new self-consistent empirical interatomic potential model for oxides, silicates, and silica-based glassesAlfonso Pedone, Gianluca Malavasi, M Cristina Menziani, et al.
The Journal of Physical Chemistry. B|July 21, 2006
A computational tool for the prediction of crystalline phases obtained from controlled crystallization of glassesGigliola Lusvardi, Gianluca Malavasi, Ledi Menabue, et al.
Proteins|November 16, 2005
A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutantsVincenzo Barone, Francesca De Rienzo, Emma Langella, et al.
The Journal of Physical Chemistry. B|July 26, 2006
Qualitative and quantitative structure-property relationships analysis of multicomponent potential bioglassesLaura Linati, Gigliola Lusvardi, Gianluca Malavasi, et al.
Current Topics in Medicinal Chemistry|June 8, 2002
The Interactions of the 5-HT(3) receptor with arylpiperazine, tropane, and quinuclidine ligandsAndrea Cappelli, Maurizio Anzini, Salvatore Vomero, et al.
Journal of Medicinal Chemistry|May 13, 2005
Further studies on the interaction of the 5-hydroxytryptamine3 (5-HT3) receptor with arylpiperazine ligands. development of a new 5-HT3 receptor ligand showing potent acetylcholinesterase inhibitory propertiesAndrea Cappelli, Andrea Gallelli, Monica Manini, et al.
ACS Medicinal Chemistry Letters|June 6, 2014
Bivalent Ligands for the Serotonin 5-HT3 ReceptorAndrea Cappelli, Monica Manini, Marco Paolino, et al.
Bioorganic & Medicinal Chemistry|June 12, 2002
Novel potent 5-HT(3) receptor ligands based on the pyrrolidone structure. Effects of the quaternization of the basic nitrogen on the interaction with 5-HT(3) receptorAndrea Cappelli, Andrea Gallelli, Carlo Braile, et al.
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