Sfoglia per Autore
Identification of a point mutation impairing the binding between aquaporin-4 and neuromyelitis optica Autoantibodies
2014-01-01 Pisani, Francesco; Mola, Maria Grazia; Simone, Laura; Rosito, Stefania; Alberga, Domenico; Mangiatordi, Giuseppe Felice; Lattanzi, Gianluca; Nicolotti, Orazio; Frigeri, Antonio; Svelto, Maria; Nicchia, GRAZIA PAOLA
Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: Insights from theory
2015-01-01 Alberga, Domenico; Perrier, Aurélie; Ciofini, Ilaria; Mangiatordi, Giuseppe Felice; Lattanzi, Gianluca; Adamo, Carlo
Effects of Different Self-Assembled Monolayers on Thin-Film Morphology: A Combined DFT/MD Simulation Protocol
2015-01-01 Alberga, Domenico; Mangiatordi, Giuseppe Felice; Motta, Alessandro; Nicolotti, Orazio; Lattanzi, Gianluca
Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields
2015-01-01 Mangiatordi, Giuseppe Felice; Alberga, Domenico; Siragusa, Lydia; Goracci, Laura; Lattanzi, Gianluca; Nicolotti, Orazio
Piano-stool d6-rhodium(III) complexes of chelating pyridine-based ligands and their papain bioconjugates for the catalysis of transfer hydrogenation of aryl ketones in aqueous medium
2015-01-01 Madern, Nathalie; Queyriaux, Nicolas; Chevalley, Alice; Ghasemi, Mahsa; Nicolotti, Orazio; Ciofini, Ilaria; Mangiatordi, Giuseppe Felice; Salmain, Michèle
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands
2015-01-01 Castillo González, Daimel; Mergny, Jean Louis; De Rache, Aurore; Pérez Machado, Gisselle; Cabrera Pérez, Miguel Angel; Nicolotti, Orazio; Introcaso, Antonellina; Mangiatordi, Giuseppe Felice; Guédin, Aurore; Bourdoncle, Anne; Garrigues, Teresa; Pallardó, Federico; Cordeiro, M. Natália D. S.; Paz Y. Miño, Cesar; Tejera, Eduardo; Borges, Fernanda; Cruz Monteagudo, Maykel
Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies
2016-01-01 Imbrici, Paola; Altamura, Concetta; Camerino, GIULIA MARIA; Mangiatordi, Giuseppe Felice; Conte, Elena; Maggi, Lorenzo; Brugnoni, Raffaella; Musaraj, Kejla; Caloiero, Roberta; Alberga, Domenico; Marsano, RENE' MASSIMILIANO; Ricci, Giulia; Siciliano, Gabriele; Nicolotti, Orazio; Mora, Marina; Bernasconi, Pia; Desaphy, Jean Francois; Mantegazza, Renato; Conte, Diana
A Round Trip from Medicinal Chemistry to Predictive Toxicology
2016-01-01 Mangiatordi, Giuseppe Felice; Carotti, Angelo; Novellino, Ettore; Nicolotti, Orazio
Design, synthesis, biological evaluation, NMR and DFT studies of structurally-simplified trimethoxy benzamides as P-glycoprotein selective inhibitors: the role of molecular flatness
2016-01-01 Stefanachi, Angela; Mangiatordi, Giuseppe Felice; Tardia, Piero; Alberga, Domenico; Leonetti, Francesco; Niso, Mauro; Colabufo, Nicola Antonio; Adamo, Carlo; Nicolotti, Orazio; Cellamare, Saverio
Mind the Gap ! A Journey towards Computational Toxicology
2016-01-01 Mangiatordi, Giuseppe Felice; Alberga, Domenico; Altomare, Cosimo Damiano; Carotti, Angelo; Catto, Marco; Cellamare, Saverio; Gadaleta, Domenico; Lattanzi, Gianluca; Leonetti, Francesco; Pisani, Leonardo; Stefanachi, Angela; Trisciuzzi, Daniela; Nicolotti, Orazio
Applicability Domain for QSAR models: where theory meets reality
2016-01-01 Gadaleta, Domenico; Mangiatordi, Giuseppe Felice; Catto, Marco; Carotti, Angelo; Nicolotti, Orazio
Human aquaporin-4 and molecular modeling: Historical perspective and view to the future
2016-01-01 Mangiatordi, Giuseppe Felice; Alberga, Domenico; Trisciuzzi, Daniela; Lattanzi, Gianluca; Nicolotti, Orazio
CERAPP: Collaborative estrogen receptor activity prediction project
2016-01-01 Mansouri, Kamel; Abdelaziz, Ahmed; Rybacka, Aleksandra; Roncaglioni, Alessandra; Tropsha, Alexander; Varnek, Alexandre; Zakharov, Alexey; Worth, Andrew; Richard, Ann M.; Grulke, Christopher M.; Trisciuzzi, Daniela; Fourches, Denis; Horvath, Dragos; Benfenati, Emilio; Muratov, Eugene; Wedebye, Eva Bay; Grisoni, Francesca; Mangiatordi, Giuseppe Felice; Incisivo, Giuseppina M.; Hong, Huixiao; Ng, Hui W.; Tetko, Igor V.; Balabin, Ilya; Kancherla, Jayaram; Shen, Jie; Burton, Julien; Nicklaus, Marc; Cassotti, Matteo; Nikolov, Nikolai G.; Nicolotti, Orazio; Andersson, Patrik L.; Zang, Qingda; Politi, Regina; Beger, Richard D.; Todeschini, Roberto; Huang, Ruili; Farag, Sherif; Rosenberg, Sine A.; Slavov, Svetoslav; Hu, Xin; Judson, Richard S.
Supramolecular Anchoring of NCN-Pincer Palladium Complexes into a β-Barrel Protein Host: Molecular-Docking and Reactivity Insights
2017-01-01 Pocquet, Lucrèce; Vologdin, Nikolay; Mangiatordi, Giuseppe Felice; Ciofini, Ilaria; Nicolotti, Orazio; Thorimbert, Serge; Salmain, Michèle
Comparative Molecular Dynamics Study of Neuromyelitis Optica-Immunoglobulin G Binding to Aquaporin-4 Extracellular Domains
2017-01-01 Alberga, Domenico; Trisciuzzi, Daniela; Lattanzi, Gianluca; Bennett, Jeffrey; Verkman, Alan; Mangiatordi, Giuseppe; Nicolotti, Orazio
Predictive Structure-Based Toxicology Approaches to Assess the Androgenic Potential of Chemicals
2017-01-01 Trisciuzzi, Daniela; Alberga, Domenico; Mansouri, Kamel; Judson, Richard; Novellino, Ettore; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio
From Flamingo Dance to (Desirable) Drug Discovery: A Nature-Inspired Approach
2017-01-01 Sánchez Rodríguez, A.; Pérez Castillo, Y.; Schürer, S.; Nicolotti, Orazio; Mangiatordi, G. F.; Borges, F.; Cordeiro, M. N. D. S.; Tejera, E.; Medina Franco, J. L.; Cruz Monteagudo, M.
A novel KCNA1 mutation in a patient with paroxysmal ataxia, myokymia, painful contractures and metabolic dysfunctions
2017-01-01 Imbrici, Paola; Altamura, Concetta; Gualandi, Francesca; Mangiatordi, Giuseppe Felice; Neri, Marcella; De Maria, Giovanni; Ferlini, Alessandra; Padovani, Alessandro; D'Adamo, Maria Cristina; Nicolotti, Orazio; Pessia, Mauro; Conte, Diana; Filosto, Massimiliano; Desaphy, Jean-Francois
Nontest Methods for REACH Legislation
2017-01-01 Gissi, A.; Mangiatordi, G. F.; Sobanski, T.; Netzeva, T.; Nicolotti, O.
Persulfate Reaction in a Hair-Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13-Diamino-4,7,10-Trioxatridecane
2018-01-01 Gargano, Emanuele M.; Mangiatordi, Giuseppe Felice; Weber, Ingo; Goebel, Carsten; Alberga, Domenico; Nicolotti, Orazio; Ruess, Wolfgang; Wierlacher, Stefan
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Identification of a point mutation impairing the binding between aquaporin-4 and neuromyelitis optica Autoantibodies | 1-gen-2014 | Pisani, Francesco; Mola, Maria Grazia; Simone, Laura; Rosito, Stefania; Alberga, Domenico; Mangiatordi, Giuseppe Felice; Lattanzi, Gianluca; Nicolotti, Orazio; Frigeri, Antonio; Svelto, Maria; Nicchia, GRAZIA PAOLA | |
| Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: Insights from theory | 1-gen-2015 | Alberga, Domenico; Perrier, Aurélie; Ciofini, Ilaria; Mangiatordi, Giuseppe Felice; Lattanzi, Gianluca; Adamo, Carlo | |
| Effects of Different Self-Assembled Monolayers on Thin-Film Morphology: A Combined DFT/MD Simulation Protocol | 1-gen-2015 | Alberga, Domenico; Mangiatordi, Giuseppe Felice; Motta, Alessandro; Nicolotti, Orazio; Lattanzi, Gianluca | |
| Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields | 1-gen-2015 | Mangiatordi, Giuseppe Felice; Alberga, Domenico; Siragusa, Lydia; Goracci, Laura; Lattanzi, Gianluca; Nicolotti, Orazio | |
| Piano-stool d6-rhodium(III) complexes of chelating pyridine-based ligands and their papain bioconjugates for the catalysis of transfer hydrogenation of aryl ketones in aqueous medium | 1-gen-2015 | Madern, Nathalie; Queyriaux, Nicolas; Chevalley, Alice; Ghasemi, Mahsa; Nicolotti, Orazio; Ciofini, Ilaria; Mangiatordi, Giuseppe Felice; Salmain, Michèle | |
| Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands | 1-gen-2015 | Castillo González, Daimel; Mergny, Jean Louis; De Rache, Aurore; Pérez Machado, Gisselle; Cabrera Pérez, Miguel Angel; Nicolotti, Orazio; Introcaso, Antonellina; Mangiatordi, Giuseppe Felice; Guédin, Aurore; Bourdoncle, Anne; Garrigues, Teresa; Pallardó, Federico; Cordeiro, M. Natália D. S.; Paz Y. Miño, Cesar; Tejera, Eduardo; Borges, Fernanda; Cruz Monteagudo, Maykel | |
| Multidisciplinary study of a new ClC-1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies | 1-gen-2016 | Imbrici, Paola; Altamura, Concetta; Camerino, GIULIA MARIA; Mangiatordi, Giuseppe Felice; Conte, Elena; Maggi, Lorenzo; Brugnoni, Raffaella; Musaraj, Kejla; Caloiero, Roberta; Alberga, Domenico; Marsano, RENE' MASSIMILIANO; Ricci, Giulia; Siciliano, Gabriele; Nicolotti, Orazio; Mora, Marina; Bernasconi, Pia; Desaphy, Jean Francois; Mantegazza, Renato; Conte, Diana | |
| A Round Trip from Medicinal Chemistry to Predictive Toxicology | 1-gen-2016 | Mangiatordi, Giuseppe Felice; Carotti, Angelo; Novellino, Ettore; Nicolotti, Orazio | |
| Design, synthesis, biological evaluation, NMR and DFT studies of structurally-simplified trimethoxy benzamides as P-glycoprotein selective inhibitors: the role of molecular flatness | 1-gen-2016 | Stefanachi, Angela; Mangiatordi, Giuseppe Felice; Tardia, Piero; Alberga, Domenico; Leonetti, Francesco; Niso, Mauro; Colabufo, Nicola Antonio; Adamo, Carlo; Nicolotti, Orazio; Cellamare, Saverio | |
| Mind the Gap ! A Journey towards Computational Toxicology | 1-gen-2016 | Mangiatordi, Giuseppe Felice; Alberga, Domenico; Altomare, Cosimo Damiano; Carotti, Angelo; Catto, Marco; Cellamare, Saverio; Gadaleta, Domenico; Lattanzi, Gianluca; Leonetti, Francesco; Pisani, Leonardo; Stefanachi, Angela; Trisciuzzi, Daniela; Nicolotti, Orazio | |
| Applicability Domain for QSAR models: where theory meets reality | 1-gen-2016 | Gadaleta, Domenico; Mangiatordi, Giuseppe Felice; Catto, Marco; Carotti, Angelo; Nicolotti, Orazio | |
| Human aquaporin-4 and molecular modeling: Historical perspective and view to the future | 1-gen-2016 | Mangiatordi, Giuseppe Felice; Alberga, Domenico; Trisciuzzi, Daniela; Lattanzi, Gianluca; Nicolotti, Orazio | |
| CERAPP: Collaborative estrogen receptor activity prediction project | 1-gen-2016 | Mansouri, Kamel; Abdelaziz, Ahmed; Rybacka, Aleksandra; Roncaglioni, Alessandra; Tropsha, Alexander; Varnek, Alexandre; Zakharov, Alexey; Worth, Andrew; Richard, Ann M.; Grulke, Christopher M.; Trisciuzzi, Daniela; Fourches, Denis; Horvath, Dragos; Benfenati, Emilio; Muratov, Eugene; Wedebye, Eva Bay; Grisoni, Francesca; Mangiatordi, Giuseppe Felice; Incisivo, Giuseppina M.; Hong, Huixiao; Ng, Hui W.; Tetko, Igor V.; Balabin, Ilya; Kancherla, Jayaram; Shen, Jie; Burton, Julien; Nicklaus, Marc; Cassotti, Matteo; Nikolov, Nikolai G.; Nicolotti, Orazio; Andersson, Patrik L.; Zang, Qingda; Politi, Regina; Beger, Richard D.; Todeschini, Roberto; Huang, Ruili; Farag, Sherif; Rosenberg, Sine A.; Slavov, Svetoslav; Hu, Xin; Judson, Richard S. | |
| Supramolecular Anchoring of NCN-Pincer Palladium Complexes into a β-Barrel Protein Host: Molecular-Docking and Reactivity Insights | 1-gen-2017 | Pocquet, Lucrèce; Vologdin, Nikolay; Mangiatordi, Giuseppe Felice; Ciofini, Ilaria; Nicolotti, Orazio; Thorimbert, Serge; Salmain, Michèle | |
| Comparative Molecular Dynamics Study of Neuromyelitis Optica-Immunoglobulin G Binding to Aquaporin-4 Extracellular Domains | 1-gen-2017 | Alberga, Domenico; Trisciuzzi, Daniela; Lattanzi, Gianluca; Bennett, Jeffrey; Verkman, Alan; Mangiatordi, Giuseppe; Nicolotti, Orazio | |
| Predictive Structure-Based Toxicology Approaches to Assess the Androgenic Potential of Chemicals | 1-gen-2017 | Trisciuzzi, Daniela; Alberga, Domenico; Mansouri, Kamel; Judson, Richard; Novellino, Ettore; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio | |
| From Flamingo Dance to (Desirable) Drug Discovery: A Nature-Inspired Approach | 1-gen-2017 | Sánchez Rodríguez, A.; Pérez Castillo, Y.; Schürer, S.; Nicolotti, Orazio; Mangiatordi, G. F.; Borges, F.; Cordeiro, M. N. D. S.; Tejera, E.; Medina Franco, J. L.; Cruz Monteagudo, M. | |
| A novel KCNA1 mutation in a patient with paroxysmal ataxia, myokymia, painful contractures and metabolic dysfunctions | 1-gen-2017 | Imbrici, Paola; Altamura, Concetta; Gualandi, Francesca; Mangiatordi, Giuseppe Felice; Neri, Marcella; De Maria, Giovanni; Ferlini, Alessandra; Padovani, Alessandro; D'Adamo, Maria Cristina; Nicolotti, Orazio; Pessia, Mauro; Conte, Diana; Filosto, Massimiliano; Desaphy, Jean-Francois | |
| Nontest Methods for REACH Legislation | 1-gen-2017 | Gissi, A.; Mangiatordi, G. F.; Sobanski, T.; Netzeva, T.; Nicolotti, O. | |
| Persulfate Reaction in a Hair-Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13-Diamino-4,7,10-Trioxatridecane | 1-gen-2018 | Gargano, Emanuele M.; Mangiatordi, Giuseppe Felice; Weber, Ingo; Goebel, Carsten; Alberga, Domenico; Nicolotti, Orazio; Ruess, Wolfgang; Wierlacher, Stefan |
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