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SaveAllosteric Inhibitors of SARS-CoV-2 RNA-Dependent RNA Polymerase Based on N,N′-Diphenylurea
Chayka, Artem; Danda, Matej; Dostalkova, Alzbeta; Spiwok, Vojtech; Zijadic, Lamija; Klimesova, Anna; Kapisheva, Marina; Zgarbova, Michala; Weber, Jan; Ruml, Tomas; Rumlova, Michaela; Janeba, Zlatko Share Save Share Save PLUMED Tutorials: A collaborative, community-driven learning ecosystemTribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoen, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomas F. D.; Spiwok, Vojtech; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew D.; Wu, Jiangbo Share Save CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated ProteinLi, Fengling; Ackloo, Suzanne; Arrowsmith, Cheryl H.; Ban, Fuqiang; Barden, Christopher J.; Beck, Hartmut; Beranek, Jan; Berenger, Francois; Bolotokova, Albina; Bret, Guillaume; Breznik, Marko; Carosati, Emanuele; Chau, Irene; Chen, Yu; Cherkasov, Artem; Della Corte, Dennis; Denzinger, Katrin; Dong, Aiping; Draga, Sorin; Dunn, Ian; Edfeldt, Kristina; Edwards, Aled; Eguida, Merveille; Eisenhuth, Paul; Friedrich, Lukas; Fuerll, Alexander; Gardiner, Spencer S.; Gentile, Francesco; Ghiabi, Pegah; Gibson, Elisa; Glavatskikh, Marta; Gorgulla, Christoph; Guenther, Judith; Gunnarsson, Anders; Gusev, Filipp; Gutkin, Evgeny; Halabelian, Levon; Harding, Rachel J.; Hillisch, Alexander; Hoffer, Laurent; Hogner, Anders; Houliston, Scott; Irwin, John J.; Isayev, Olexandr; Ivanova, Aleksandra; Jacquemard, Celien; Jarrett, Austin J.; Jensen, Jan H.; Kireev, Dmitri; Kleber, Julian; Koby, S. Benjamin; Koes, David; Kumar, Ashutosh; Kurnikova, Maria G.; Kutlushina, Alina; Lessel, Uta; Liessmann, Fabian; Liu, Sijie; Lu, Wei; Meiler, Jens; Mettu, Akhila; Minibaeva, Guzel; Moretti, Rocco; Morris, Connor J.; Narangoda, Chamali; Noonan, Theresa; Obendorf, Leon; Pach, Szymon; Pandit, Amit; Perveen, Sumera; Poda, Gennady; Polishchuk, Pavel; Puls, Kristina; Puetter, Vera; Rognan, Didier; Roskams-Edris, Dylan; Schindler, Christina; Sindt, Francois; Spiwok, Vojtech; Steinmann, Casper; Stevens, Rick L.; Talagayev, Valerij; Tingey, Damon; Vu, Oanh; Walters, W. Patrick; Wang, Xiaowen; Wang, Zhenyu; Wolber, Gerhard; Wolf, Clemens Alexander; Wortmann, Lars; Zeng, Hong; Zepeda, Carlos A.; Zhang, Kam Y. J.; Zhang, Jixian; Zheng, Shuangjia; Schapira, Matthieu Share Save Developing Allosteric Inhibitors of SARS-CoV-2 RNA-Dependent RNA PolymeraseChayka, Artem; Danda, Matej; Dostalkova, Alzbeta; Spiwok, Vojtech; Klimesova, Anna; Kapisheva, Marina; Zgarbova, Michala; Weber, Jan; Ruml, Tomas; Rumlova, Michaela; Janeba, Zlatko Share Save Share Save 2,6-Disubstituted 7-(naphthalen-2-ylmethyl)-7H-purines as a new class of potent antitubercular agents inhibiting DprE1Finger, Vladimir; Kucera, Tomas; Kafkova, Radka; Muckova, Lubica; Dolezal, Rafael; Kubes, Jan; Novak, Martin; Prchal, Lukas; Lakatos, Levente; Andrs, Martin; Hympanova, Michaela; Marek, Jan; Kufa, Martin; Spiwok, Vojtech; Soukup, Ondrej; Mezeiova, Eva; Janousek, Jiri; Nevosadova, Lenka; Benkova, Marketa; Kitson, Russell R. A.; Kratky, Martin; Bosze, Szilvia; Mikusova, Katarina; Hartkoorn, Ruben; Roh, Jaroslav; Korabecny, Jan Share Save Share Save Share Save The first structure-function study of GH151 α-l-fucosidase uncovers new oligomerization pattern, active site complementation, and selective substrate specificityKoval'ova, Terezia; Koval, Tomas; Stransky, Jan; Kolenko, Petr; Duskova, Jarmila; Svecova, Leona; Vodickova, Patricie; Spiwok, Vojtech; Benesova, Eva; Lipovova, Petra; Dohnalek, Jan Share Save Share Save Share Save Share Save Share Save Deep learning in systems medicineWang, Haiying; Pujos-Guillot, Estelle; Comte, Blandine; de Miranda, Joao Luis; Spiwok, Vojtech; Chorbev, Ivan; Castiglione, Filippo; Tieri, Paolo; Watterson, Steven; McAllister, Roisin; Malaquias, Tiago de Melo; Zanin, Massimiliano; Rai, Taranjit Singh; Zheng, Huiru Share Save Share Save Share Save Share Save PEGylated Purpurin 18 with Improved Solubility: Potent Compounds for Photodynamic Therapy of CancerPavlickova, Vladimira; Rimpelova, Silvie; Jurasek, Michal; Zaruba, Kamil; Fahnrich, Jan; Krizova, Ivana; Bejcek, Jiri; Rottnerova, Zderika; Spiwok, Vojtech; Drasar, Pavel; Ruml, Tomas Share Save 
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