Mpropred: A machine learning (ML) driven Web-App for bioactivity prediction of SARS-CoV-2 main protease (Mpro) antagonists von Ferdous, Nadim, Reza, Mahjerin Nasrin, Hossain, Mohammad Uzzal, Mahmud, Shahin, Napis, Suhami, Chowdhury, Kamal, Mohiuddin, A K M

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Assessing multiple score functions in Rosetta for drug discovery von Smith, Shannon T, Meiler, Jens

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G82S RAGE polymorphism influences amyloid-RAGE interactions relevant in Alzheimer's disease pathology von C, Rani Cathrine, Lukose, Bincy, Rani, P

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Limits to detecting epistasis in the fitness landscape of HIV von Biswas, Avik, Haldane, Allan, Levy, Ronald M

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Differences in protein structural regions that impact functional specificity in GT2 family β-glucan synthases von Oehme, Daniel P, Shafee, Thomas, Downton, Matthew T, Bacic, Antony, Doblin, Monika S

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Finding inhibitors for PCSK9 using computational methods von Zainab, Rida, Kaleem, Afshan, Ponczek, Michal B, Abdullah, Roheena, Iqtedar, Mehwish, Hoessli, Daniel C

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Computational study on new natural compound agonists of stimulator of interferon genes (STING) von Zhong, Sheng, Li, Weihang, Bai, Yang, Wu, Bo, Wang, Xinhui, Jiang, Shanshan, Zhao, Yingjing, Ren, Jiaxin, Li, Hui, Jin, Rihua

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Unraveling the unbinding pathways of SARS-CoV-2 Papain-like proteinase known inhibitors by Supervised Molecular Dynamics simulation von Sohraby, Farzin, Aryapour, Hassan

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The involvement of CYP1A2 in biodegradation of dioxins in pigs von Swigonska, Sylwia, Molcan, Tomasz, Nynca, Anna, Ciereszko, Renata E

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A novel computational strategy for defining the minimal protein molecular surface representation von Grassmann, Greta, Miotto, Mattia, Di Rienzo, Lorenzo, Gosti, Giorgio, Ruocco, Giancarlo, Milanetti, Edoardo

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Lessons learned from 10 years of wind tunnel tests on small wind turbines designed by students von Schepers, J.G., Adema, N.C., Lipian, M., Kulak, M., Shahid, A., Best, A., Bendre, T., Gallicchio, I., Elsabbagh, A., Mostafa, A., Kim, T., Mikkelsen, R., Gaunaa, M., Teuwen, J.J.E., Rudolf, R.T., Wood, D., Holierhoek, J.G.

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Predicting functional networks from region connectivity profiles in task-based versus resting-state fMRI data von Rasero, Javier, Aerts, Hannelore, Ontivero Ortega, Marlis, Cortes, Jesus M, Stramaglia, Sebastiano, Marinazzo, Daniele

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Middle-way flexible docking: Pose prediction using mixed-resolution Monte Carlo in estrogen receptor α von Spiriti, Justin, Subramanian, Sundar Raman, Palli, Rohith, Wu, Maria, Zuckerman, Daniel M

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Predicting functional networks from region connectivity profiles in task-based versus resting-state fMRI data von Rasero, Javier, Aerts, Hannelore, Ontivero Ortega, Marlis, Cortes, Jesus M, Stramaglia, Sebastiano, Marinazzo, Daniele

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Overview of the Cohort Consortium Vitamin D Pooling Project of Rarer Cancers von Helzlsouer, Kathy J.

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Multiple Factors Influencing the Incidence of Congenital Hypothyroidism Detected by Neonatal Screening von Olivieri, Antonella, Fazzini, Cristina, Medda, Emanuela

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Efficacy of Nirmatrelvir/ritonavir in reducing the risk of severe outcome in patients with SARS-CoV-2 infection: a real-life full-matched case-control study (SAVALO Study) von Gentile, Ivan, Giaccone, Agnese, Scirocco, Maria Michela, Di Brizzi, Francesco, Cuccurullo, Federica, Silvitelli, Maria, Ametrano, Luigi, Alfè, Francesco Antimo, Pietroluongo, Daria, Irace, Irene, Chiariello, Mariarosaria, De Felice, Noemi, Severino, Simone, Viceconte, Giulio, Schiano Moriello, Nicola, Maraolo, Alberto Enrico, Buonomo, Antonio Riccardo, Scotto, Riccardo

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Congenital Hypothyroidism due to Defects of Thyroid Development and Mild Increase of TSH at Screening: Data From the Italian National Registry of Infants With Congenital Hypothyroi... von Olivieri, Antonella, Corbetta, Carlo, Weber, Giovanna, Vigone, Maria Cristina, Fazzini, Cristina, Medda, Emanuela, The Italian Study Group for Congenital Hypothyroidism

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The relationships of personal resources with symptom severity and psychosocial functioning in persons with schizophrenia: results from the Italian Network for Research on Psychoses... von Rossi, Alessandro, Galderisi, Silvana, Rocca, Paola, Bertolino, Alessandro, Mucci, Armida, Rucci, Paola, Gibertoni, Dino, Aguglia, Eugenio, Amore, Mario, Andriola, Ileana, Bellomo, Antonello, Biondi, Massimo, Callista, Gaetano, Comparelli, Anna, Dell’Osso, Liliana, Di Giannantonio, Massimo, Fagiolini, Andrea, Marchesi, Carlo, Monteleone, Palmiero, Montemagni, Cristiana, Niolu, Cinzia, Piegari, Giuseppe, Pinna, Federica, Roncone, Rita, Stratta, Paolo, Tenconi, Elena, Vita, Antonio, Zeppegno, Patrizia, Maj, Mario

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Continuous infusion versus intermittent administration of meropenem in critically ill patients (MERCY): A multicenter randomized double-blind trial. Rationale and design von Monti, Giacomo, Galbiati, Carola, Toffoletto, Fabio, Calabrò, Maria Grazia, Colombo, Sergio, Ferrara, Barbara, Giardina, Giuseppe, Lembo, Rosalba, Marzaroli, Matteo, Moizo, Elena, Mucci, Milena, Pasculli, Nicola, Plumari, Valentina Paola, Scandroglio, Anna Mara, Tozzi, Margherita, Momesso, Elena, Boffa, Nicoletta, Lobreglio, Rosetta, Montrucchio, Giorgia, Guarracino, Fabio, Benedetto, Umberto, Biondi-Zoccai, Giuseppe, D'Ascenzo, Fabrizio, D'Andrea, Natascia, Paternoster, Gianluca, Ananiadou, Sofia, Ballestra, Mariano, De Sio, Antonio, Pota, Vincenzo, Cotoia, Antonella, Della Selva, Andrea, Bruni, Andrea, Iapichino, Giacomo, Bradić, Nikola, Corradi, Francesco, Gemma, Marco, Nogtev, Pavel, Petrova, Marina, Agrò, Felice Eugenio, Cabrini, Luca, Forfori, Francesco, Likhvantsev, Valery, Bove, Tiziana, Finco, Gabriele, Landoni, Giovanni, Zangrillo, Alberto, Ajello, Silvia, Cappelletti, Alberto Maria, Fominskiy, Evgeny, Nisi, Francesco Giuseppe, Pazzanese, Vittorio, Pieri, Marina, Canavosio, Federico, Palmesino, Filippo, Bernasconi, Mara, Gallioli, Giorgio, Marino, Giovanni, Vetrugno, Luigi, Millin, Chiara, Missio, Daniela, Gallicchio, Francesca, Azzali, Barbara, Bozzetti, Mattia, Cristadoro, Daniele, Perone, Romina, Cantatore, Leonarda Pia, Curci, Gianna, Pabon, Ingrid Marcela, Garofalo, Eugenio, Mainetti, Manuela, Calamai, Italo, Maraggia, Davide, Mattei, Alessia, Yavorovskiy, Andrey

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