المؤلفون: Schimunek, Johannes, Seidl, Philipp, Elez, Katarina, Hempel, Tim, Le, Tuan, Noé, Frank, Olsson, Simon, Raich, Lluís, Winter, Robin, Gokcan, Hatice, Gusev, Filipp, Gutkin, Evgeny, Isayev, Olexandr, Kurnikova, Maria, Narangoda, Chamali, Zubatyuk, Roman, Bosko, Ivan, Furs, Konstantin, Karpenko, Anna, Kornoushenko, Yury, Shuldau, Mikita, Yushkevich, Artsemi, Benabderrahmane, Mohammed, Bousquet-Melou, Patrick, Bureau, Ronan, Charton, Beatrice, Cirou, Bertrand, Gil, Gérard, Allen, William, Sirimulla, Suman, Watowich, Stanley, Antonopoulos, Nick, Epitropakis, Nikolaos, Krasoulis, Agamemnon, Pitsikalis, Vassilis, Theodorakis, Stavros, Kozlovskii, Igor, Maliutin, Anton, Medvedev, Alexander, Popov, Petr, Zaretckii, Mark, Eghbal-Zadeh, Hamid, Halmich, Christina, Hochreiter, Sepp, Mayr, Andreas, Ruch, Peter, Widrich, Michael, Berenger, Francois, Kumar, Ashutosh, Yamanishi, Yoshihiro, Zhang, Kam, Bengio, Emmanuel, Bengio, Yoshua, Jain, Moksh, Korablyov, Maksym, Liu, Cheng-Hao, Gilles, Marcous, Glaab, Enrico, Barnsley, Kelly, Iyengar, Suhasini, Ondrechen, Mary Jo, Haupt, V. Joachim, Kaiser, Florian, Schroeder, Michael, Pugliese, Luisa, Albani, Simone, Athanasiou, Christina, Beccari, Andrea, Carloni, Paolo, d'Arrigo, Giulia, Gianquinto, Eleonora, Goßen, Jonas, Hanke, Anton, Joseph, Benjamin, Kokh, Daria, Kovachka, Sandra, Manelfi, Candida, Mukherjee, Goutam, Muñiz-Chicharro, Abraham, Musiani, Francesco, Nunes-Alves, Ariane, Paiardi, Giulia, Rossetti, Giulia, Sadiq, S. Kashif, Spyrakis, Francesca, Talarico, Carmine, Tsengenes, Alexandros, Wade, Rebecca, Copeland, Conner, Gaiser, Jeremiah, Olson, Daniel, Roy, Amitava, Venkatraman, Vishwesh, Wheeler, Travis, Arthanari, Haribabu, Blaschitz, Klara, Cespugli, Marco, Durmaz, Vedat, Fackeldey, Konstantin, Fischer, Patrick, Gorgulla, Christoph, Gruber, Christian, Gruber, Karl, Hetmann, Michael, Kinney, Jamie, Das, Krishna, Pandita, Shreya, Singh, Amit, Steinkellner, Georg, Tesseyre, Guilhem, Wagner, Gerhard, Wang, Zi-Fu, Yust, Ryan, Druzhilovskiy, Dmitry, Filimonov, Dmitry, Pogodin, Pavel, Poroikov, Vladimir, Rudik, Anastassia, Stolbov, Leonid, Veselovsky, Alexander, de Rosa, Maria, Simone, Giada De, Gulotta, Maria, Lombino, Jessica, Mekni, Nedra, Perricone, Ugo, Casini, Arturo, Embree, Amanda, Gordon, D. Benjamin, Lei, David, Pratt, Katelin, Voigt, Christopher, Chen, Kuang-Yu, Jacob, Yves, Krischuns, Tim, Lafaye, Pierre, Zettor, Agnès, Rodríguez, M. Luis, White, Kris, Fearon, Daren, von Delft, Frank, Walsh, Martin, Horvath, Dragos, Brooks, Charles, Falsafi, Babak, Ford, Bryan, García-Sastre, Adolfo, Lee, Sang Yup, Naffakh, Nadia, Varnek, Alexandre, Klambauer, Guenter, Hermans, Thomas

المساهمون: Johannes Kepler Universität (JKU), Laboratoire de Photophysique et Photochimie Supramoléculaires et Macromoléculaires (PPSM), École normale supérieure - Cachan (ENS Cachan)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Freie Universität Berlin, Departament de Quimica Fisica and Institut de Quimica Teorica i Computacional (IQTCUB), Universitat de Barcelona (UB), Carnegie Mellon University Pittsburgh (CMU), Institute for Scintillation Materials of NASU, National Academy of Sciences of Ukraine = Національна академія наук України = Académie nationale des sciences d'Ukraine (NASU / НАН України), Centre d'Etudes et de Recherche sur le Médicament de Normandie (CERMN), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU), CRIANN, Centre de Ressources Informatiques de Haute-Normandie, France (CRIHAN), Biologie des ARN et virus influenza - RNA Biology of Influenza Virus (CNRS-UMR3569), Institut Pasteur Paris (IP)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Génétique moléculaire des virus à ARN, Institut Pasteur Paris (IP)-Centre National de la Recherche Scientifique (CNRS), Ingénierie des Anticorps (plate-forme) - Antibody Engineering (Platform), Criblage chémogénomique et biologique (Plateforme) - Chemogenomic and Biological Screening Platform (PF-CCB), Institut Pasteur Paris (IP)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité)

المصدر: ISSN: 1868-1743.

مصطلحات موضوعية: SARS-Cov2, computational drug discovery, covid-19, [SDV]Life Sciences [q-bio], [CHIM]Chemical Sciences, [INFO]Computer Science [cs]

Relation: info:eu-repo/semantics/altIdentifier/pmid/37833243; pasteur-04269641; https://pasteur.hal.science/pasteur-04269641; https://pasteur.hal.science/pasteur-04269641/document; https://pasteur.hal.science/pasteur-04269641/file/Molecular%20Informatics%20-%202023%20-%20Schimunek%20-%20A%20community%20effort%20in%20SARS%E2%80%90CoV%E2%80%902%20drug%20discovery.pdf; PUBMED: 37833243

الاتاحة: https://pasteur.hal.science/pasteur-04269641
https://pasteur.hal.science/pasteur-04269641/document
https://pasteur.hal.science/pasteur-04269641/file/Molecular%20Informatics%20-%202023%20-%20Schimunek%20-%20A%20community%20effort%20in%20SARS%E2%80%90CoV%E2%80%902%20drug%20discovery.pdf
https://doi.org/10.1002/minf.202300262

المؤلفون: Gulotta, Maria Rita, Lombino, Jessica, Perricone, Ugo, De Simone, Giada, Mekni, Nedra, De Rosa, Maria, Diana, Patrizia, Padova, Alessandro

المصدر: ChemMedChem ; volume 15, issue 20, page 1921-1931 ; ISSN 1860-7179 1860-7187

الاتاحة: http://dx.doi.org/10.1002/cmdc.202000259
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fcmdc.202000259
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cmdc.202000259
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/cmdc.202000259

المؤلفون: Mekni, Nedra, Fooladi, Hosein, Perricone, Ugo, Langer, Thierry

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-bvps7
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/6538c1772431cc1dac81ae53/original/encoding-protein-ligand-interactions-binding-affinity-prediction-with-multigraph-based-modeling-and-graph-convolutional-network.pdf

المؤلفون: Lombino, Jessica, Gulotta, Maria Rita, De Simone, Giada, Mekni, Nedra, De Rosa, Maria, Carbone, Daniela, Parrino, Barbara, Cascioferro, Stella Maria, Diana, Patrizia, Padova, Alessandro, Perricone, Ugo

المصدر: Molecular Informatics ; volume 40, issue 2 ; ISSN 1868-1743 1868-1751

الاتاحة: http://dx.doi.org/10.1002/minf.202000148
https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202000148
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/minf.202000148

المؤلفون: Lombino, Jessica, Gulotta, Maria Rita, De Simone, Giada, Mekni, Nedra, De Rosa, Maria, Carbone, Daniela, Parrino, Barbara, Cascioferro, Stella Maria, Diana, Patrizia, Padova, Alessandro, Perricone, Ugo

المصدر: Molecular Informatics; Feb2021, Vol. 40 Issue 2, p1-9, 9p

مصطلحات موضوعية: COMPUTER-assisted drug design, RECEIVER operating characteristic curves, PROTEIN structure, GENE silencing, CHROMATIN-remodeling complexes, PROTEIN-ligand interactions

المؤلفون: Mekni, Nedra^1,2 (AUTHOR) ccoronnello@fondazionerimed.com, Coronnello, Claudia² (AUTHOR) mderosa@fondazionerimed.com, Langer, Thierry¹ (AUTHOR), Rosa, Maria De² (AUTHOR), Perricone, Ugo² (AUTHOR) nmekni@fondazionerimed.com

المصدر: International Journal of Molecular Sciences. Jul2021, Vol. 22 Issue 14, p7714-7714. 1p.

مصطلحات موضوعية: *PROTEASE inhibitors, *SUPPORT vector machines, *MACHINE learning, *SARS-CoV-2, *COVID-19 pandemic, *VIRAL genomes

المؤلفون: Mekni, Nedra¹ (AUTHOR) nmekni@fondazionerimed.com, De Rosa, Maria¹ (AUTHOR) ccipollina@fondazionerimed.com, Cipollina, Chiara^1,2 (AUTHOR) mrgulotta@fondazionerimed.com, Gulotta, Maria Rita^1,3 (AUTHOR) gdesimone@fondazionerimed.com, De Simone, Giada¹ (AUTHOR) jlombino@fondazionerimed.com, Lombino, Jessica^1,3 (AUTHOR) apadova@fondazionerimed.com, Padova, Alessandro¹ (AUTHOR), Perricone, Ugo¹ (AUTHOR) mderosa@fondazionerimed.com

المصدر: International Journal of Molecular Sciences. Oct2019, Vol. 20 Issue 20, p4974. 1p. 5 Color Photographs, 1 Chart, 4 Graphs.

مصطلحات موضوعية: *PYRIN (Protein), *ALZHEIMER'S disease, *RHEUMATOID arthritis, *ANTIBIOTIC residues