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CATMoS: Collaborative Acute Toxicity Modeling Suite 1-gen-2021 Mansouri, K; Karmaus, Al; Fitzpatrick, J; Patlewicz, G; Pradeep, P; Alberga, D; Alepee, N; Allen, Teh; Allen, D; Alves, Vm; Andrade, Ch; Auernhammer, Tr; Ballabio, D; Bell, S; Benfenati, E; Bhattacharya, S; Bastos, Jv; Boyd, S; Brown, Jb; Capuzzi, Sj; Chushak, Y; Ciallella, H; Clark, Am; Consonni, V; Daga, Pr; Ekins, S; Farag, S; Fedorov, M; Fourches, D; Gadaleta, D; Gao, F; Gearhart, Jm; Goh, G; Goodman, Jm; Grisoni, F; Grulke, Cm; Hartung, T; Hirn, M; Karpov, P; Korotcov, A; Lavado, Gj; Lawless, M; Li, Xh; Luechtefeld, T; Lunghini, F; Mangiatordi, Gf; Marcou, G; Marsh, D; Martin, T; Mauri, A; Muratov, En; Myatt, Gj; Nguyen, Dt; Nicolotti, O; Note, R; Pande, P; Parks, Ak; Peryea, T; Polash, Ah; Rallo, R; Roncaglioni, A; Rowlands, C; Ruiz, P; Russo, Dp; Sayed, A; Sayre, R; Sheils, T; Siegel, C; Silva, Ac; Simeonov, A; Sosnin, S; Southall, N; Strickland, J; Tang, Y; Teppen, B; Tetko, Iv; Thomas, D; Tkachenko, V; Todeschini, R; Toma, C; Tripodi, I; Trisciuzzi, D; Tropsha, A; Varnek, A; Vukovic, K; Wang, Zy; Wang, Lg; Waters, Km; Wedlake, Aj; Wijeyesakere, Sj; Wilson, D; Xiao, Zj; Yang, Hb; Zahoranszky-Kohalmi, G; Zakharov, Av; Zhang, Ff; Zhang, Z; Zhao, Tg; Zhu, H; Zorn, Km; Casey, W; Kleinstreuer, Nc
Getting Insights into Structural and Energetic Properties of Reciprocal Peptide–Protein Interactions 1-gen-2022 Trisciuzzi, Daniela; Siragusa, Lydia; Baroni, Massimo; Autiero, Ida; Nicolotti, Orazio; Cruciani, Gabriele
An Integrated Machine Learning Model to Spot Peptide Binding Pockets in 3D Protein Screening 1-gen-2022 Trisciuzzi, Daniela; Siragusa, Lydia; Baroni, Massimo; Cruciani, Gabriele; Nicolotti, Orazio
Inhibition of Cholinesterases by Benzothiazolone Derivatives 1-gen-2022 Alagoz, Ma; Kim, Sm; Oh, Jm; Arslan, G; Ozdemir, Z; Sari, S; Ozcelik, Ab; Onkol, T; Trisciuzzi, D; Nicolotti, O; Kim, H; Mathew, B
PLATO: A Predictive Drug Discovery Web Platform for Efficient Target Fishing and Bioactivity Profiling of Small Molecules 1-gen-2022 Ciriaco, Fulvio; Gambacorta, Nicola; Trisciuzzi, Daniela; Nicolotti, Orazio
Making sense of chemical space network shows signs of criticality 1-gen-2023 Amoroso, N.; Gambacorta, N.; Mastrolorito, F.; Togo, M. V.; Trisciuzzi, D.; Monaco, A.; Pantaleo, E.; Altomare, C. D.; Ciriaco, F.; Nicolotti, O.
Targeting protein-protein interactions with low molecular weight and short peptide modulators: insights on disease pathways and starting points for drug discovery 1-gen-2023 Trisciuzzi, D.; Villoutreix, B. O.; Siragusa, L.; Baroni, M.; Cruciani, G.; Nicolotti, O.
Where developmental toxicity meets explainable artificial intelligence: state-of-the-art and perspectives 1-gen-2023 Vittoria Togo, M; Mastrolorito, F; Orfino, A; Graps, Ea; Tondo, Ar; Altomare, Cd; Ciriaco, F; Trisciuzzi, D; Nicolotti, O; Amoroso, N
TIRESIA: An eXplainable Artificial Intelligence Platform for Predicting Developmental Toxicity 1-gen-2023 Togo, Maria Vittoria; Mastrolorito, Fabrizio; Ciriaco, Fulvio; Trisciuzzi, Daniela; Tondo, Anna Rita; Gambacorta, Nicola; Bellantuono, Loredana; Monaco, Alfonso; Leonetti, Francesco; Bellotti, Roberto; Altomare, Cosimo Damiano; Amoroso, Nicola; Nicolotti, Orazio
Exploration of a new class of monoamine oxidase B inhibitors by assembling benzyloxy pharmacophore on halogenated chalcones 1-gen-2023 Singh, Ak; Kim, Sm; Oh, Jm; Abdelgawad, Ma; Ghoneim, Mm; Rangarajan, Tm; Kumar, S; Sudevan, St; Trisciuzzi, D; Nicolotti, O; Kim, H; Mathew, B
Machine learning resources for drug design 1-gen-2023 Gambacorta, N.; Trisciuzzi, D.; Ciriaco, F.; Mastrolorito, F.; Togo, M. V.; Tondo, A. R.; Altomare, C. D.; Amoroso, N.; Nicolotti, O.
Growth hormone secretagogues modulate inflammation and fibrosis in mdx mouse model of Duchenne muscular dystrophy 1-gen-2023 Boccanegra, B.; Cappellari, O.; Mantuano, P.; Trisciuzzi, D.; Mele, A.; Tulimiero, L.; De Bellis, M.; Cirmi, S.; Sanarica, F.; Cerchiara, A. G.; Conte, E.; Meanti, R.; Rizzi, L.; Bresciani, E.; Denoyelle, S.; Fehrentz, J. -A.; Cruciani, G.; Nicolotti, O.; Liantonio, A.; Torsello, A.; De Luca, A.
TISBE: A Public Web Platform for the Consensus-Based Explainable Prediction of Developmental Toxicity 1-gen-2024 Mastrolorito, F.; Togo, M. V.; Gambacorta, N.; Trisciuzzi, D.; Giannuzzi, V.; Bonifazi, F.; Liantonio, A.; Imbrici, P.; De Luca, A.; Altomare, C. D.; Ciriaco, F.; Amoroso, N.; Nicolotti, O.
Mostrati risultati da 21 a 33 di 33
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