ALBERGA, DOMENICO
ALBERGA, DOMENICO
Istituto di Cristallografia - IC
DeLA-DrugSelf: Empowering Multi-Objective De Novo Design through SELFIES Molecular Representation
2024 Alberga, Domenico; Lamanna, Giuseppe; Graziano, Giovanni; Delre, Pietro; Cristina Lomuscio, Maria; Corriero, Nicola; Ligresti, Alessia; Siliqi, Dritan; Saviano, Michele; Contino, Marialessandra; Stefanachi, Angela; Mangiatordi, GIUSEPPE FELICE
Molecular interactions between a diphenyl scaffold and PED/PEA15: Implications for type II diabetes therapeutics targeting PED/PEA15 - Phospholipase D1 interaction
2024 Mercurio, Ivan; D'Abrosca, Gianluca; Della Valle, Maria; Malgieri, Gaetano; Fattorusso, Roberto; Isernia, Carla; Russo, Luigi; Di Gaetano, Sonia; Pedone, Emilia Maria; Pirone, Luciano; Del Gatto, Annarita; Zaccaro, Laura; Alberga, Domenico; Saviano, Michele; Mangiatordi, Giuseppe Felice
ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators
2023 Delre, Pietro; Contino, Marialessandra; Alberga, Domenico; Saviano, Michele; Corriero, Nicola; Mangiatordi, GIUSEPPE FELICE
AMALPHI: A Machine Learning Platform for Predicting Drug-Induced PhospholIpidosis
2023 Lomuscio, MARIA CRISTINA; Abate, Carmen; Alberga, Domenico; Laghezza, Antonio; Corriero, Nicola; Colabufo Nicola, Antonio; Saviano, Michele; Delre, Pietro; Mangiatordi, GIUSEPPE FELICE
Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach
2021 Ciriaco, Fulvio; Gambacorta, Nicola; Alberga, Domenico; Nicolotti, Orazio
Compara: Collaborative modeling project for androgen receptor activity
2020 Mansouri K.; Kleinstreuer N.; Abdelaziz A.M.; Alberga D.; Alves V.M.; Andersson P.L.; Andrade C.H.; Bai F.; Balabin I.; Ballabio D.; Benfenati E.; Bhhatarai B.; Boyer S.; Chen J.; Consonni V.; Farag S.; Fourches D.; GarciaSosa A.T.; Gramatica P.; Grisoni F.; Grulke C.M.; Hong H.; Horvath D.; Hu X.; Huang R.; Jeliazkova N.; Li J.; Li X.; Liu H.; Manganelli S.; Mangiatordi G.F.; Maran U.; Marcou G.; Martin T.; Muratov E.; Nguyen D.T.; Nicolotti O.; Nikolov N.G.; Norinder U.; Papa E.; Petitjean M.; Piir G.; Pogodin P.; Poroikov V.; Qiao X.; Richard A.M.; Roncaglioni A.; Ruiz P.; Rupakheti C.; Sakkiah S.; Sangion A.; Schramm K.W.; Selvaraj C.; Shah I.; Sild S.; Sun L.; Taboureau O.; Tang Y.; Tetko I.V.; Todeschini R.; Tong W.; Trisciuzzi D.; Tropsha A.; Van Den Driessche G.; Varnek A.; Wang Z.; Wedebye E.B.; Williams A.J.; Xie H.; Zakharov A.V.; Zheng Z.; Judson R.S.
De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization
2020 Domenico, Alberga; Nicola, Gambacorta; Daniela, Trisciuzzi; Fulvio, Ciriaco; Nicola, Amoroso; Orazio, Nicolotti
Enhancing the Sensitivity of Biotinylated Surfaces by Tailoring the Design of the Mixed Self-Assembled Monolayer Synthesis
2020 Blasi, Davide; Sarcina, Lucia; Tricase, Angelo; Stefanachi, Angela; Leonetti, Francesco; Alberga, Domenico; Mangiatordi, Giuseppe Felice; Manoli, Kyriaki; Scamarcio, Gaetano; Picca, Rosaria Anna; Torsi, Luisa
Theoretical insights on acceptor-donor dyads for organic photovoltaics
2020 Turelli, Michele; Alberga, Domenico; Lattanzi, Gianluca; Ciofini, Ilaria; Adamo, Carlo
A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL)
2019 Alberga, Domenico; Trisciuzzi, Daniela; Montaruli, Michele; Leonetti, Francesco; Mangiatordi, GIUSEPPE FELICE; Nicolotti, Orazio
Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search
2019 Montaruli, Michele; Alberga, Domenico; Ciriaco, Fulvio; Trisciuzzi, Daniela; Tondo Anna, Rita; Mangiatordi, GIUSEPPE FELICE; Nicolotti, Orazio
Exploring the role of elongation Factor-Like 1 (EFL1) in Shwachman-Diamond syndrome through molecular dynamics
2019 Delre, Pietro; Alberga, Domenico; Gijsbers, Abril; Sanchezpuig, Nuria; Nicolotti, Orazio; Saviano, Michele; Siliqi, Dritan; Mangiatordi, GIUSEPPE FELICE
Multitarget drug design for neurodegenerative diseases
2019 Catto, Marco; Trisciuzzi, Daniela; Alberga, Domenico; Mangiatordi, GIUSEPPE FELICE; Nicolotti, Orazio
Prediction of Acute Oral Systemic Toxicity Using a Multifingerprint Similarity Approach
2019 Alberga, Domenico; Trisciuzzi, Daniela; Mansouri, Kamel; Mansouri, Kamel; Mangiatordi, Giuseppe Felice; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio
Strategies of virtual screening in medicinal chemistry
2019 Passeri, Giovanna Ilaria; Siragusa, Lydia; Trisciuzzi, Daniela; Leonetti, Francesco; Alberga, Domenico; Mangiatordi, Giuseppe F.; Nicolotti, Orazio
Optoeletronic properties of poly(N-alkenyl-carbazole)s driven by polymer stereoregularity
2018 Botta, Antonio; Costabile, Chiara; Venditto, Vincenzo; Pragliola, Stefania; Liguori, Rosalba; Rubino, Alfredo; Alberga, Domenico; Savarese, Marika; Adamo, Carlo
Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals
2018 Wilbraham, Liam; Louis, Marine; Alberga, Domenico; Brosseau, Arnaud; Guillot, Regis; Ito, Fuyuki; Labat, Frederic; Metivier, Remi; Allain, Clemence; Ciofini, Ilaria
Effects of Anthryl Groups on the Charge Transport and Photovoltaic Properties of Small Triarylamine-Based Donor-Acceptor Molecules: A Joint Experimental and Theoretical Study
2017 Jiang, Yue; Cabanetos, Clément; Jungsuttiwong, Siriporn; Alberga, Domenico; Adamo, Carlo; Roncali, Jean
Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields
2015 Mangiatordi, GIUSEPPE FELICE; Alberga, Domenico; Siragusa, Lydia; Goracci, Laura; Lattanzi, Gianluca; Nicolotti, Orazio
Effects of annealing and residual solvents on amorphous P3HT and PBTTT films
2014 Alberga, Domenico; Mangiatordi, Giuseppe Felice; Torsi, Luisa; Lattanzi, Gianluca
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| DeLA-DrugSelf: Empowering Multi-Objective De Novo Design through SELFIES Molecular Representation | 1-gen-2024 | Alberga, Domenico; Lamanna, Giuseppe; Graziano, Giovanni; Delre, Pietro; Cristina Lomuscio, Maria; Corriero, Nicola; Ligresti, Alessia; Siliqi, Dritan; Saviano, Michele; Contino, Marialessandra; Stefanachi, Angela; Mangiatordi, GIUSEPPE FELICE | |
| Molecular interactions between a diphenyl scaffold and PED/PEA15: Implications for type II diabetes therapeutics targeting PED/PEA15 - Phospholipase D1 interaction | 1-gen-2024 | Mercurio, Ivan; D'Abrosca, Gianluca; Della Valle, Maria; Malgieri, Gaetano; Fattorusso, Roberto; Isernia, Carla; Russo, Luigi; Di Gaetano, Sonia; Pedone, Emilia Maria; Pirone, Luciano; Del Gatto, Annarita; Zaccaro, Laura; Alberga, Domenico; Saviano, Michele; Mangiatordi, Giuseppe Felice | |
| ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators | 1-gen-2023 | Delre, Pietro; Contino, Marialessandra; Alberga, Domenico; Saviano, Michele; Corriero, Nicola; Mangiatordi, GIUSEPPE FELICE | |
| AMALPHI: A Machine Learning Platform for Predicting Drug-Induced PhospholIpidosis | 1-gen-2023 | Lomuscio, MARIA CRISTINA; Abate, Carmen; Alberga, Domenico; Laghezza, Antonio; Corriero, Nicola; Colabufo Nicola, Antonio; Saviano, Michele; Delre, Pietro; Mangiatordi, GIUSEPPE FELICE | |
| Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach | 1-gen-2021 | Ciriaco, Fulvio; Gambacorta, Nicola; Alberga, Domenico; Nicolotti, Orazio | |
| Compara: Collaborative modeling project for androgen receptor activity | 1-gen-2020 | Mansouri K.; Kleinstreuer N.; Abdelaziz A.M.; Alberga D.; Alves V.M.; Andersson P.L.; Andrade C.H.; Bai F.; Balabin I.; Ballabio D.; Benfenati E.; Bhhatarai B.; Boyer S.; Chen J.; Consonni V.; Farag S.; Fourches D.; GarciaSosa A.T.; Gramatica P.; Grisoni F.; Grulke C.M.; Hong H.; Horvath D.; Hu X.; Huang R.; Jeliazkova N.; Li J.; Li X.; Liu H.; Manganelli S.; Mangiatordi G.F.; Maran U.; Marcou G.; Martin T.; Muratov E.; Nguyen D.T.; Nicolotti O.; Nikolov N.G.; Norinder U.; Papa E.; Petitjean M.; Piir G.; Pogodin P.; Poroikov V.; Qiao X.; Richard A.M.; Roncaglioni A.; Ruiz P.; Rupakheti C.; Sakkiah S.; Sangion A.; Schramm K.W.; Selvaraj C.; Shah I.; Sild S.; Sun L.; Taboureau O.; Tang Y.; Tetko I.V.; Todeschini R.; Tong W.; Trisciuzzi D.; Tropsha A.; Van Den Driessche G.; Varnek A.; Wang Z.; Wedebye E.B.; Williams A.J.; Xie H.; Zakharov A.V.; Zheng Z.; Judson R.S. | |
| De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization | 1-gen-2020 | Domenico, Alberga; Nicola, Gambacorta; Daniela, Trisciuzzi; Fulvio, Ciriaco; Nicola, Amoroso; Orazio, Nicolotti | |
| Enhancing the Sensitivity of Biotinylated Surfaces by Tailoring the Design of the Mixed Self-Assembled Monolayer Synthesis | 1-gen-2020 | Blasi, Davide; Sarcina, Lucia; Tricase, Angelo; Stefanachi, Angela; Leonetti, Francesco; Alberga, Domenico; Mangiatordi, Giuseppe Felice; Manoli, Kyriaki; Scamarcio, Gaetano; Picca, Rosaria Anna; Torsi, Luisa | |
| Theoretical insights on acceptor-donor dyads for organic photovoltaics | 1-gen-2020 | Turelli, Michele; Alberga, Domenico; Lattanzi, Gianluca; Ciofini, Ilaria; Adamo, Carlo | |
| A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL) | 1-gen-2019 | Alberga, Domenico; Trisciuzzi, Daniela; Montaruli, Michele; Leonetti, Francesco; Mangiatordi, GIUSEPPE FELICE; Nicolotti, Orazio | |
| Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search | 1-gen-2019 | Montaruli, Michele; Alberga, Domenico; Ciriaco, Fulvio; Trisciuzzi, Daniela; Tondo Anna, Rita; Mangiatordi, GIUSEPPE FELICE; Nicolotti, Orazio | |
| Exploring the role of elongation Factor-Like 1 (EFL1) in Shwachman-Diamond syndrome through molecular dynamics | 1-gen-2019 | Delre, Pietro; Alberga, Domenico; Gijsbers, Abril; Sanchezpuig, Nuria; Nicolotti, Orazio; Saviano, Michele; Siliqi, Dritan; Mangiatordi, GIUSEPPE FELICE | |
| Multitarget drug design for neurodegenerative diseases | 1-gen-2019 | Catto, Marco; Trisciuzzi, Daniela; Alberga, Domenico; Mangiatordi, GIUSEPPE FELICE; Nicolotti, Orazio | |
| Prediction of Acute Oral Systemic Toxicity Using a Multifingerprint Similarity Approach | 1-gen-2019 | Alberga, Domenico; Trisciuzzi, Daniela; Mansouri, Kamel; Mansouri, Kamel; Mangiatordi, Giuseppe Felice; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio | |
| Strategies of virtual screening in medicinal chemistry | 1-gen-2019 | Passeri, Giovanna Ilaria; Siragusa, Lydia; Trisciuzzi, Daniela; Leonetti, Francesco; Alberga, Domenico; Mangiatordi, Giuseppe F.; Nicolotti, Orazio | |
| Optoeletronic properties of poly(N-alkenyl-carbazole)s driven by polymer stereoregularity | 1-gen-2018 | Botta, Antonio; Costabile, Chiara; Venditto, Vincenzo; Pragliola, Stefania; Liguori, Rosalba; Rubino, Alfredo; Alberga, Domenico; Savarese, Marika; Adamo, Carlo | |
| Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals | 1-gen-2018 | Wilbraham, Liam; Louis, Marine; Alberga, Domenico; Brosseau, Arnaud; Guillot, Regis; Ito, Fuyuki; Labat, Frederic; Metivier, Remi; Allain, Clemence; Ciofini, Ilaria | |
| Effects of Anthryl Groups on the Charge Transport and Photovoltaic Properties of Small Triarylamine-Based Donor-Acceptor Molecules: A Joint Experimental and Theoretical Study | 1-gen-2017 | Jiang, Yue; Cabanetos, Clément; Jungsuttiwong, Siriporn; Alberga, Domenico; Adamo, Carlo; Roncali, Jean | |
| 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 | |
| Effects of annealing and residual solvents on amorphous P3HT and PBTTT films | 1-gen-2014 | Alberga, Domenico; Mangiatordi, Giuseppe Felice; Torsi, Luisa; Lattanzi, Gianluca |