학술논문
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'학술논문'
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Amaro, Rommie; Åqvist, Johan; Bahar, Ivet; Battistini, Federica; Bellaiche, Adam; Beltran, Daniel; Biggin, Philip C.; Bonomi, Massimiliano; Bowman, Gregory R.; Bryce, Richard; Bussi, Giovanni; Carloni, Paolo; Case, David; Cavalli, Andrea; Chang, Chie-En A.; Cheatham III, Thomas E.; Cheung, Margaret S.; Chipot, Cris; Chong, Lillian T.; Choudhary, Preeti; Cisneros, Gerardo Andres; Clementi, Cecilia; Collepardo-Guevara, Rosana; Coveney, Peter; Covino, Roberto; Crawford, T. Daniel; Peraro, Matteo Dal; de Groot, Bert; Delemotte, Lucie; De Vivo, Marco; Essex, Jonathan; Fraternali, Franca; Gao, Jiali; Gelpí, Josep Lluís; Gervasio, Francesco Luigi; Gonzalez-Nilo, Fernando Danilo; Grubmüller, Helmut; Guenza, Marina; Guzman, Horacio V.; Harris, Sarah; Head-Gordon, Teresa; Hernandez, Rigoberto; Hospital, Adam; Huang, Niu; Huang, Xuhui; Hummer, Gerhard; Iglesias-Fernández, Javier; Jensen, Jan H.; Jha, Shantenu; Jiao, Wanting; Jorgensen, William L.; Kamerlin, Shina Caroline Lynn; Khalid, Syma; Laughton, Charles; Levitt, Michael; Limongelli, Vittorio; Lindahl, Erik; Lindorff-Larsen, Kresten; Loverde, Sharon; Lundborg, Magnus; Luo, Yun Lyna; Luque, Francisco Javier; Lynch, Charlotte I.; MacKerell, Alexander; Magistrato, Alessandra; Marrink, Siewert J.; Martin, Hugh; McCammon, J. Andrew; Merz, Kenneth; Moliner, Vicent; Mulholland, Adrian; Murad, Sohail; Naganathan, Athi N.; Nangia, Shikha; Noe, Frank; Noy, Agnes; Oláh, Julianna; O'Mara, Megan; Ondrechen, Mary Jo; Onuchic, José N.; Onufriev, Alexey; Osuna, Silvia; Panchenko, Anna R.; Pantano, Sergio; Parish, Carol; Parrinello, Michele; Perez, Alberto; Perez-Acle, Tomas; Perilla, Juan R.; Pettitt, B. Montgomery; Pietropalo, Adriana; Piquemal, Jean-Philip; Poma, Adolfo; Praprotnik, Matej; Ramos, Maria J.; Ren, Pengyu; Reuter, Nathalie; Roitberg, Adrian; Rosta, Edina; Rovira, Carme; Roux, Benoit; Röthlisberger, Ursula; Sanbonmatsu, Karissa Y.; Schlick, Tamar; Shaytan, Alexey K.; Simmerling, Carlos; Smith, Jeremy C.; Sugita, Yuji; Świderek, Katarzyna; Taiji, Makoto; Tao, Peng; Tieleman, D. Peter; Tikhonova, Irina G.; Tirado-Rives, Julian; Tunón, Inaki; Van Der Kamp, Marc W.; Van der Spoel, David; Velankar, Sameer; Voth, Gregory A.; Wade, Rebecca; Warshel, Ariel; Welborn, Valerie Vaissier; Wetmore, Stacey; Wheeler, Travis J.; Wong, Chung F.; Yang, Lee-Wei; Zacharias, Martin; Orozco, Modesto
Nat Methods (2025)
Academic Journal
H. T. Henry Chan; Marc A. Moesser; Rebecca K. Walters; Tika R. Malla; Rebecca M. Twidale; Tobias John; Helen M. Deeks; Tristan Johnston-Wood; Victor Mikhailov; Richard B. Sessions; William Dawson; Eidarus Salah; Petra Lukacik; Claire Strain-Damerell; C. David Owen; Takahito Nakajima; Katarzyna Świderek; Alessio Lodola; Vicent Moliner; David R. Glowacki; James Spencer; Martin A. Walsh; Christopher J. Schofield; Luigi Genovese; Deborah K. Shoemark; Adrian J. Mulholland; Fernanda Duarte; Garrett M. Morris
Chem Sci
Chan, H T H, Moesser, M A, Walters, RK , Malla, T R, Twidale, R M, John, T, Deeks, H M, Johnston-Wood, T, Mikhailov, V, Sessions, R B, Dawson, W, Salah, E, Lukacik, P, Strain-Damerell, C, Owen, C D, Nakajima, T, Świderek , K , Lodola, A, Moliner, V, Glowacki, D R, Spencer, J, Walsh, M A, Schofield, C J, Genovese, L, Shoemark, D K , Mulholland, A J, Duarte, F & Morris, G M 2021, 'Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding', Chemical Science, vol. 12, no. 41, pp. 13686-13703. https://doi.org/10.1039/D1SC03628A, https://doi.org/10.1039/d1sc03628a
Chan, H T H, Moesser, M A, Walters, R
Academic Journal
Fernández-de-la-Pradilla A; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, 12071 Castelló, Spain.; Quílez C; Departament de Química Inorgànica i Orgànica, Universitat Jaume I, 12071 Castelló, Spain.; Uršič T; Department of Biochemistry and Molecular and Structural Biology, Jozef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia.; Karničar K; Department of Biochemistry and Molecular and Structural Biology, Jozef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia; Centre of Excellence for Integrated Approaches in Chemistry and Biology of Proteins, Jamova 39, 1000 Ljubljana, Slovenia.; Turk G; Department of Biochemistry and Molecular and Structural Biology, Jozef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia; Centre of Excellence for Integrated Approaches in Chemistry and Biology of Proteins, Jamova 39, 1000 Ljubljana, Slovenia.; Turk D; Department of Biochemistry and Molecular and Structural Biology, Jozef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia; Centre of Excellence for Integrated Approaches in Chemistry and Biology of Proteins, Jamova 39, 1000 Ljubljana, Slovenia.; Świderek K; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, 12071 Castelló, Spain. Electronic address: swiderek@uji.es.; González FV; Departament de Química Inorgànica i Orgànica, Universitat Jaume I, 12071 Castelló, Spain. Electronic address: fgonzale@uji.es.; Moliner V; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, 12071 Castelló, Spain. Electronic address: moliner@uji.es.
Publisher: Elsevier Science Country of Publication: England NLM ID: 9413298 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3391 (Electronic) Linking ISSN: 09680896 NLM ISO Abbreviation: Bioorg Med Chem Subsets: MEDLINE
Academic Journal
Özbek, Nagihan; Chen, Xiaoyao; Kriebisch, Brigitte A. K.; Fernández-de-la-Pradilla, Adrián; Świderek, Katarzyna; Boekhoven, Job; Escuder, Beatriu
Academic Journal
Zeitschrift der Savigny-Stiftung für Rechtsgeschichte: Romanistische Abteilung. 94(1):374-377
Academic Journal
Świderek K; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, Castellón 12071, Spain.; Arafet K; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, Castellón 12071, Spain.; de Sousa Batista V; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, Castellón 12071, Spain.; Grajales-Hernández D; Heterogeneous Biocatalysis Laboratory, Center for Cooperative Research in Biomaterials (CIC biomaGUNE), Basque Research and Technology Alliance (BRTA), Donostia-San Sebastián 20014, Spain.; López-Gallego F; Heterogeneous Biocatalysis Laboratory, Center for Cooperative Research in Biomaterials (CIC biomaGUNE), Basque Research and Technology Alliance (BRTA), Donostia-San Sebastián 20014, Spain.; Ikerbasque, Basque Foundation for Science, Plaza Euskadi, 5, Bilbao 48009, Spain.; Moliner V; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, Castellón 12071, Spain.
Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE
Academic Journal
ACS Catal
Repositori Universitat Jaume I
Universitat Jaume I
Repositori Universitat Jaume I
Universitat Jaume I
Academic Journal
Roca M; BioComp Group. Institute of Advanced Materials (INAM), Universitat Jaume I, Castelló de la Plana 12071, Spain.; Maghsoud Y; Department of Chemistry and Biochemistry, The University of Texas at Dallas, Richardson, Texas 75080, United States.; Department of Biochemistry and Molecular Pharmacology, Baylor College of Medicine, Houston, Texas 77030, United States.; Cisneros GA; Department of Chemistry and Biochemistry, The University of Texas at Dallas, Richardson, Texas 75080, United States.; Department of Physics, The University of Texas at Dallas, Richardson, Texas 75080, United States.; Świderek K; BioComp Group. Institute of Advanced Materials (INAM), Universitat Jaume I, Castelló de la Plana 12071, Spain.; Moliner V; BioComp Group. Institute of Advanced Materials (INAM), Universitat Jaume I, Castelló de la Plana 12071, Spain.
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE
Academic Journal
Zhang L; Department of Radiology, Molecular Imaging Innovations Institute (MI3), Weill Cornell Medicine, New York, NY, 10065, USA.; Calvo-Barreiro L; Department of Radiology, Molecular Imaging Innovations Institute (MI3), Weill Cornell Medicine, New York, NY, 10065, USA.; de Sousa Batista V; BioComp group, Institute of Advanced Materials (INAM), Universitat Jaume I, Castellon, Spain.; Świderek K; BioComp group, Institute of Advanced Materials (INAM), Universitat Jaume I, Castellon, Spain.; Gabr MT; Department of Radiology, Molecular Imaging Innovations Institute (MI3), Weill Cornell Medicine, New York, NY, 10065, USA.
Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 101259013 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1860-7187 (Electronic) Linking ISSN: 18607179 NLM ISO Abbreviation: ChemMedChem Subsets: MEDLINE
Academic Journal
H. T. Henry Chan; Marc A. Moesser; Rebecca K. Walters; Tika R. Malla; Rebecca M. Twidale; Tobias John; Helen M. Deeks; Tristan Johnston-Wood; Victor Mikhailov; Richard B. Sessions; William Dawson; Eidarus Salah; Petra Lukacik; Claire Strain-Damerell; C. David Owen; Takahito Nakajima; Katarzyna Świderek; Alessio Lodola; Vicent Moliner; David R. Glowacki; Martin A. Walsh; Christopher J. Schofield; Luigi Genovese; Deborah K. Shoemark; Adrian J. Mulholland; Fernanda Duarte; Garrett M. Morris
Repositori Universitat Jaume I
Universitat Jaume I
Universitat Jaume I
Academic Journal
Proc Natl Acad Sci U S A
Repositori Universitat Jaume I
Universitat Jaume I
Repositori Universitat Jaume I
Universitat Jaume I
Academic Journal
Ilya Gurevic; Zahidul Islam; Katarzyna Świderek; Kai Trepka; Ananda K. Ghosh; Vicent Moliner; Amnon Kohen
ACS Catalysis. 8:10241-10253
Academic Journal
Price, D. A.; Doble, K. E.; Lesser, W.; Greenberg, M. J.; Swiderek, K. M.; Lee, T. D.; Lutz, E. M.; Sommerville, J.; Falconer, S.; Cottrell, G. A.
Biological Bulletin, 1996 Dec 01. 191(3), 341-352.
Academic Journal
Bemelmans MP; SynBiofoundry@TUM, Technical University of Munich, Schulgasse 16, 94315 Straubing, Germany.; Wetzel BN; NUMAFERM GmbH, Merowingerplatz 1a, 40225 Düsseldorf, Germany.; Neusius FG; NUMAFERM GmbH, Merowingerplatz 1a, 40225 Düsseldorf, Germany.; Tieves F; NUMAFERM GmbH, Merowingerplatz 1a, 40225 Düsseldorf, Germany.; Schwarz C; NUMAFERM GmbH, Merowingerplatz 1a, 40225 Düsseldorf, Germany.; Mateljak I; Evoenzyme S.L., Parque Cientifico de Madrid, 28049, Madrid, Spain.; Świderek K; Biocomp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, 12071 Castello, Spain.; Moliner V; Biocomp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, 12071 Castello, Spain.; Alcalde M; Institute of Catalysis, CSIC, 28049 Madrid, Spain.; Sieber V; SynBiofoundry@TUM, Technical University of Munich, Schulgasse 16, 94315 Straubing, Germany.; Chair of Chemistry of Biogenic Resources, Campus Straubing for Biotechnology and Sustainability, Technical University of Munich, Schulgasse 16, 94315 Straubing, Germany.; Catalysis Research Center, Technical University of Munich, Ernst-Otto-Fischer-Straße 1, 85748 Garching, Germany.
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101575075 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2161-5063 (Electronic) Linking ISSN: 21615063 NLM ISO Abbreviation: ACS Synth Biol Subsets: MEDLINE
Academic Journal
Gabirondo E; POLYMAT and Department of Polymers and Advanced Materials: Physics, Chemistry and Technology, Faculty of Chemistry, University of the Basque Country UPV/EHU Donostia-San Sebastián 20018 Spain haritz.sardon@ehu.eus.; Maiz-Iginitz A; POLYMAT and Department of Polymers and Advanced Materials: Physics, Chemistry and Technology, Faculty of Chemistry, University of the Basque Country UPV/EHU Donostia-San Sebastián 20018 Spain haritz.sardon@ehu.eus.; Center for Cooperative Research in Biomaterials (CIC biomaGUNE), Basque Research and Technology Alliance (BRTA) Paseo de Miramon 182 San Sebastián Spain.; Ximenis M; POLYMAT and Department of Polymers and Advanced Materials: Physics, Chemistry and Technology, Faculty of Chemistry, University of the Basque Country UPV/EHU Donostia-San Sebastián 20018 Spain haritz.sardon@ehu.eus.; Świderek K; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I 12071 Castellón Spain.; Andrés-Sanz D; Center for Cooperative Research in Biomaterials (CIC biomaGUNE), Basque Research and Technology Alliance (BRTA) Paseo de Miramon 182 San Sebastián Spain.; Moliner V; BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I 12071 Castellón Spain.; Cabedo L; Polymers and Advanced Materials Group (PIMA), Universitat Jaume I (UJI) Avenida de Vicent Sos Baynat s/n 12071 Castelló Spain.; Westlie AH; Department of Chemistry, Colorado State University Fort Collins CO 80523-1872 USA.; Chen EY; Department of Chemistry, Colorado State University Fort Collins CO 80523-1872 USA.; Cerrón-Infantes DA; Fraunhofer Institute for Silicate Research ISC Neunerplatz 2 97082 Wuerzburg Germany.; Chair of Chemical Technologie of Materials Synthesis, Julius Maximilian University of Wuerzburg Roentgenring 11 97070 Wuerzburg Germany.; CeMM - The Research Center for Molecular Medicine, Austrian Academy of Sciences Lazarettgasse 14 AKH BT 25.3 1090 Vienna Austria.; Unterlass MM; Fraunhofer Institute for Silicate Research ISC Neunerplatz 2 97082 Wuerzburg Germany.; Chair of Chemical Technologie of Materials Synthesis, Julius Maximilian University of Wuerzburg Roentgenring 11 97070 Wuerzburg Germany.; CeMM - The Research Center for Molecular Medicine, Austrian Academy of Sciences Lazarettgasse 14 AKH BT 25.3 1090 Vienna Austria.; López-Gallego F; Center for Cooperative Research in Biomaterials (CIC biomaGUNE), Basque Research and Technology Alliance (BRTA) Paseo de Miramon 182 San Sebastián Spain.; IKERBASQUE, Basque Foundation for Science María Díaz de Haro 3 48013 Bilbao Spain.; Etxeberria A; POLYMAT and Department of Polymers and Advanced Materials: Physics, Chemistry and Technology, Faculty of Chemistry, University of the Basque Country UPV/EHU Donostia-San Sebastián 20018 Spain haritz.sardon@ehu.eus.; Sardon H; POLYMAT and Department of Polymers and Advanced Materials: Physics, Chemistry and Technology, Faculty of Chemistry, University of the Basque Country UPV/EHU Donostia-San Sebastián 20018 Spain haritz.sardon@ehu.eus.
Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101545951 Publication Model: eCollection Cited Medium: Print ISSN: 2041-6520 (Print) Linking ISSN: 20416520 NLM ISO Abbreviation: Chem Sci Subsets: PubMed not MEDLINE
Academic Journal
Kholodar, Svetlana A.; Алекcеевнa, Xолодaрь СвеTлaнa; Ghosh, Ananda K.; Świderek, Katarzyna; Moliner, Vicent; Kohen, Amnon
Proceedings of the National Academy of Sciences of the United States of America, 2018 Oct 01. 115(41), 10311-10314.
Academic Journal
Kowalewski, Piotr K.; Olszewski, Robert; Walędziak, Maciej S.; Janik, Michał R.; Kwiatkowski, Andrzej; Gałązka-Świderek, Natalia; Cichoń, Krzysztof; Brągoszewski, Jakub; Paśnik, Krzysztof
Obes Surg
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