Sfoglia per Autore
Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the read-through of PTCs in CF cells
2016-01-01 Lentini, L; Pibiri, I; Melfi, R; Tutone, M; Pace, A; Barone, G; Di Leonardo, A.
A dynamic-common pharmacophore approach to improve virtual screening. A case study on PPAR-alpha
2016-01-01 Perricone, U; Almerico, AM; Tutone, M.
MOLECULAR DYNAMICS - MULTIPLE RECEPTOR CONFORMATIONS APPROACH TO ENHANCE STRUCTURE-BASED VIRTUAL SCREENING ON PPAR-alpha RECEPTOR
2016-01-01 Perricone, U; Tutone, M; Gulotta, A; Almerico AM.
A dynamic multiple receptor conformations (MD-MRC) approach to enhance early enrichment in virtual screening. A case study on PPAR-alpha
2016-01-01 Perricone, U; Wieder, M; Seidel, T; Langer, T; Almerico, AM; Tutone, M.
Exploring the readthrough of nonsense mutations by non-acidic Ataluren analogues selected by ligand-based virtual screening
2016-01-01 Pibiri, I.; Lentini, L.; Tutone, M.; Melfi, R.; Pace, A.; Di Leonardo, A.
Design, synthesis and preliminary evaluation of dopamine-amino acid conjugates as potential D1 dopaminergic modulators
2016-01-01 Tutone, M.; Chinnici, A.; Almerico, A.; Perricone, U.; Sutera, F.; De Caro, V.
The Molecular dYnamics SHAred PharmacophorE (MYSHAPE) approacha new tool to arise docking and pharmacophore modeling performance: virtues and vices
2017-01-01 Tutone, M.; Almerico Anna Maria,
Optimization of a new lead promoting the readthrough of the nonsense mutations for CFTR rescue in human CF cells
2017-01-01 Lentini, L.; Melfi, R.; Baldassano, S.; Tutone, M.; DI LEONARDO, A.; Pace, A.; Pibiri, I.
Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key Approach
2017-01-01 Tutone, M.; Perricone, U.; Almerico, A.
Micelles of the chiral biocompatible surfactant (1R,2S)-dodecyl-(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB): Molecular dynamics and fragmentation patterns in the gas phase
2017-01-01 Bongiorno, D.; Indelicato, S.; Ceraulo, L.; Perricone, U.; Calabrese, V.; Almerico, A.; Liveri, V.; Tutone, M.
Micelles, Rods, Liposomes, and Other Supramolecular Surfactant Aggregates: Computational Approaches
2017-01-01 Indelicato, S.; Bongiorno, D.; Calabrese, V.; Perricone, U.; Almerico, A.; Ceraulo, L.; Piazzese, D.; Tutone, M.
Recent advances on CDK inhibitors: An insight by means of in silico methods
2017-01-01 Tutone, M.; Almerico, A.
A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α
2017-01-01 Perricone, U.; Wieder, M.; Seidel, T.; Langer, T.; Padova, A.; Almerico, A.; Tutone, M.
Consensus modelling and molecular dynamics studies for the identification of novel telomerase inhibitors as anti-cancer agents
2018-01-01 M. tutone, A.M. Almerico
Reverse Screening on Indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent
2018-01-01 Marco Tutone, Alessia Virzì, Anna Maria Almerico
Reverse screening on indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent
2018-01-01 Tutone, Marco; Virzì, Alessia; Almerico, Anna Maria
OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF GENETIC DISEASES DUE TO NONSENSE MUTATIONS
2018-01-01 Ivana Pibiri; Andrea Pace; Marco Tutone; Laura Lentini; Raffaella Melfi; Aldo Di Leonardo
Rescuing the CFTR protein function: Introducing 1,3,4-oxadiazoles as translational readthrough inducing drugs
2018-01-01 Ivana Pibiri, Laura Lentini, Raffaella Melfi, Marco Tutone, Sara Baldassano, Paola Ricco Galluzzo, Aldo Di Leonardo, Andrea Pace
TOWARD ENRICHED VHTS FOR CDK2 INHIBITORS: MOLECULAR DYNAMICS, PHARMACOPHORE MODELLING, AND DOCKING
2019-01-01 Tutone m.; Culletta g.; Livecchi L.; Almerico a.m.
Indicaxanthin, a multi-target natural compound from Opuntia ficus-indica fruit: From its poly-pharmacological effects to biochemical mechanisms and molecular modelling studies
2019-01-01 Allegra, Mario; Tutone, Marco; Tesoriere, Luisa; Almerico, Anna Maria; Culletta, Giulia; Livrea, Maria Antonia; Attanzio, Alessandro
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