CERAPP: Collaborative Estrogen Receptor Activity Prediction Project von 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 F, 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

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CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity von Mansouri, Kamel, Kleinstreuer, Nicole, Abdelaziz, Ahmed M, Alberga, Domenico, Alves, Vinicius M, Andersson, Patrik L, Andrade, Carolina H, Bai, Fang, Balabin, Ilya, Ballabio, Davide, Benfenati, Emilio, Bhhatarai, Barun, Boyer, Scott, Chen, Jingwen, Consonni, Viviana, Farag, Sherif, Fourches, Denis, García-Sosa, Alfonso T, Gramatica, Paola, Grisoni, Francesca, Grulke, Chris M, Hong, Huixiao, Horvath, Dragos, Hu, Xin, Huang, Ruili, Jeliazkova, Nina, Li, Jiazhong, Li, Xuehua, Liu, Huanxiang, Manganelli, Serena, Mangiatordi, Giuseppe F, Maran, Uko, Marcou, Gilles, Martin, Todd, Muratov, Eugene, Nguyen, Dac-Trung, Nicolotti, Orazio, Nikolov, Nikolai G, Norinder, Ulf, Papa, Ester, Petitjean, Michel, Piir, Geven, Pogodin, Pavel, Poroikov, Vladimir, Qiao, Xianliang, Richard, Ann M, Roncaglioni, Alessandra, Ruiz, Patricia, Rupakheti, Chetan, Sakkiah, Sugunadevi, Sangion, Alessandro, Schramm, Karl-Werner, Selvaraj, Chandrabose, Shah, Imran, Sild, Sulev, Sun, Lixia, Taboureau, Olivier, Tang, Yun, Tetko, Igor V, Todeschini, Roberto, Tong, Weida, Trisciuzzi, Daniela, Tropsha, Alexander, Van Den Driessche, George, Varnek, Alexandre, Wang, Zhongyu, Wedebye, Eva B, Williams, Antony J, Xie, Hongbin, Zakharov, Alexey V, Zheng, Ziye, Judson, Richard S

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Controlling the Binding Efficiency of Surface Confined Antibodies through the Design of Mixed Self‐Assembled Monolayers von Sarcina, Lucia, Delre, Pietro, Graziano, Giovanni, Stefanachi, Angela, Blasi, Davide, Picca, Rosaria A., Di Franco, Cinzia, Leonetti, Francesco, Scamarcio, Gaetano, Bollella, Paolo, Mangiatordi, Giuseppe F., Macchia, Eleonora, Torsi, Luisa

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Structure-Based Prediction of hERG-Related Cardiotoxicity: A Benchmark Study von Creanza, Teresa Maria, Delre, Pietro, Ancona, Nicola, Lentini, Giovanni, Saviano, Michele, Mangiatordi, Giuseppe Felice

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A generalizable definition of chemical similarity for read-across von Floris, Matteo, Manganaro, Alberto, Nicolotti, Orazio, Medda, Ricardo, Mangiatordi, Giuseppe Felice, Benfenati, Emilio

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Molecular Docking for Predictive Toxicology von Trisciuzzi, Daniela, Alberga, Domenico, Leonetti, Francesco, Novellino, Ettore, Nicolotti, Orazio, Mangiatordi, Giuseppe F.

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Single-molecule detection with a millimetre-sized transistor von Macchia, Eleonora, Manoli, Kyriaki, Holzer, Brigitte, Di Franco, Cinzia, Ghittorelli, Matteo, Torricelli, Fabrizio, Alberga, Domenico, Mangiatordi, Giuseppe Felice, Palazzo, Gerardo, Scamarcio, Gaetano, Torsi, Luisa

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Structural basis for specific inhibition of salicylate synthase from Mycobacterium abscessus von Mori, Matteo, Cocorullo, Mario, Tresoldi, Andrea, Cazzaniga, Giulia, Gelain, Arianna, Stelitano, Giovanni, Chiarelli, Laurent R., Tomaiuolo, Martina, Delre, Pietro, Mangiatordi, Giuseppe F., Garofalo, Mariangela, Cassetta, Alberto, Covaceuszach, Sonia, Villa, Stefania, Meneghetti, Fiorella

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Searching for Multi-Targeting Neurotherapeutics against Alzheimer's: Discovery of Potent AChE-MAO B Inhibitors through the Decoration of the 2H-Chromen-2-one Structural Motif von Pisani, Leonardo, Farina, Roberta, Soto-Otero, Ramon, Denora, Nunzio, Mangiatordi, Giuseppe Felice, Nicolotti, Orazio, Mendez-Alvarez, Estefania, Altomare, Cosimo Damiano, Catto, Marco, Carotti, Angelo

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Targeting Siderophore-Mediated Iron Uptake in M. abscessus : A New Strategy to Limit the Virulence of Non-Tuberculous Mycobacteria von Mori, Matteo, Stelitano, Giovanni, Cazzaniga, Giulia, Gelain, Arianna, Tresoldi, Andrea, Cocorullo, Mario, Roversi, Martina, Chiarelli, Laurent R, Tomaiuolo, Martina, Delre, Pietro, Mangiatordi, Giuseppe F, Griego, Anna, Rizzello, Loris, Cassetta, Alberto, Covaceuszach, Sonia, Villa, Stefania, Meneghetti, Fiorella

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Multi-sulfonated ligands on gold nanoparticles as virucidal antiviral for Dengue virus von Zacheo, Antonella, Hodek, Jan, Witt, Dariusz, Mangiatordi, Giuseppe Felice, Ong, Quy K., Kocabiyik, Ozgun, Depalo, Nicoletta, Fanizza, Elisabetta, Laquintana, Valentino, Denora, Nunzio, Migoni, Danilo, Barski, Piotr, Stellacci, Francesco, Weber, Jan, Krol, Silke

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Understanding complexity of physiology by combined molecular simulations and experiments: anion channels as a proof of concept von Alberga, Domenico, Mangiatordi, Giuseppe F.

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A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL) von Alberga, Domenico, Trisciuzzi, Daniela, Montaruli, Michele, Leonetti, Francesco, Mangiatordi, Giuseppe Felice, Nicolotti, Orazio

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Organic bioelectronics probing conformational changes in surface confined proteins von Macchia, Eleonora, Alberga, Domenico, Manoli, Kyriaki, Mangiatordi, Giuseppe F., Magliulo, Maria, Palazzo, Gerardo, Giordano, Francesco, Lattanzi, Gianluca, Torsi, Luisa

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Charge transport in poly-imidazole membranes: a fresh appraisal of the Grotthuss mechanism von FELICE MANGIATORDI, Giuseppe, BUTERA, Valeria, RUSSO, Nino, LAAGE, Damien, ADAMO, Carlo

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Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future von Mangiatordi, Giuseppe Felice, Alberga, Domenico, Trisciuzzi, Daniela, Lattanzi, Gianluca, Nicolotti, Orazio

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Human ether-à-go-go-related potassium channel: exploring SAR to improve drug design von Cavalluzzi, Maria Maddalena, Imbrici, Paola, Gualdani, Roberta, Stefanachi, Angela, Mangiatordi, Giuseppe Felice, Lentini, Giovanni, Nicolotti, Orazio

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Xanthenylacetic Acid Derivatives Effectively Target Lysophosphatidic Acid Receptor 6 to Inhibit Hepatocellular Carcinoma Cell Growth von Gnocchi, Davide, Cavalluzzi, Maria M., Mangiatordi, Giuseppe F., Rizzi, Rosanna, Tortorella, Cosimo, Spennacchio, Mauro, Lentini, Giovanni, Altomare, Angela, Sabbà, Carlo, Mazzocca, Antonio

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Repurposing Known Drugs as Covalent and Non-covalent Inhibitors of the SARS-CoV-2 Papain-Like Protease von Delre, Pietro, Caporuscio, Fabiana, Saviano, Michele, Mangiatordi, Giuseppe Felice

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Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search von Montaruli, Michele, Alberga, Domenico, Ciriaco, Fulvio, Trisciuzzi, Daniela, Tondo, Anna Rita, Mangiatordi, Giuseppe Felice, Nicolotti, Orazio

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