Search: any fieldtitleauthorskeywordspublication dateInstitutiondocument typeconference titleISBN/ISSNproject numberfulltextrecord ID Search Tips :: Advanced Search

Search collections: *** any public collection ***AgritecAgrotest fyto, s.r.o.Agrovýzkum Rapotin Ltd.Academy of Performing Arts in ...Academy of Fine Arts in PragueAnalytical and methodological ...AnalysisInstitute of Archaeology, BrnoInstitute of Archaeology, Prag...Architectural Institute in Pra...Archiv ing. arch. Jana MoučkyArnikaCzech Water AssociationAstronomical InstituteAuthor worksBachelor's thesesBanksPersonal bibliographiesInstitute of BiophysicsBiology CentreInstitute of BiotechnologyInstitute of BotanyBrochuresNewslettersCENIATransport Research CentreCentre for Transport and Energ...The Centre for Regional Develo...Centre for Higher Education St...Global Change Research Institu...Czech Association of Occupatio...Czech Paraplegic AssociationThe Czech National BankCzech Council of Children and ...Czech Society for OrnithologyCzech University of Life Scien...Czech Technical University in ...Czech Statistical OfficeCESNETTravel reportsHop Research InstitutePeople in Need Czech RepublicdataNational Repository of Grey Li...Master’s thesesDoctoral thesesdoc. RNDr. Jiří Souček, DrSc.EkodomovInstitute of EntomologyInstitute of EthnologyEuropean Values o.s.Fairtrade Czech Republic & Slo...Charles University Faculties (...Institute of PharmacologyInstitute of PhilosophyTrade literatureTrade printInstitute of PhysicsInstitute of PhysiologyGalleriesThe Gallery of Graphic Arts in...Gender Studies, o.p.s.Institute of GeophysicsDepartment of Geography, Masar...Institute of Geology GLE o.p.s.Grant reportsHabilitation thesesHESTIAInstitute of HistoryInstitute of HydrobiologyThe Arts and Theatre InstituteIuridicum RemediumUniversity of South Bohemia in...South Moravian Museum in Znojm...Product cataloguesExhibition cataloguesDepartment of Social Geography...Library of the ASCRLibrariesConference materialsCultureFlyersLiterary Academy (Internationa...The Map Collection at Charles ...Masaryk UniversityMasaryk Institute and Archives...Institute of MathematicsMendel University in BrnoMethodsInstitute of MicrobiologyMinistriesMinistry of DefenceMinistry of JusticeMinistry of the EnvironmentMonographsThe Moravian Gallery in BrnoMoravian LibraryMuseumsMuseum of the Brno RegionMuseum of Glass and Jewellery ...Museum of Eastern Bohemia in H...Karel Komárek Proměny Foundati...National archivesNational Film ArchiveThe National Stud at Kladruby ...Nati­o­nal Infor­mation and Co...National Library of the Czech ...National Medical LibraryNational MuseumNational Heritage InstituteNational Library of TechnologyNational technical museumNational Institute of Folk Cul...National Institute for Educati...The National Museum of Agricul...National Open-Air MuseumEconomics InstituteNonprofit organizationsOriental InstituteOSEVA Development and Research...Personal archivesMiscellaneousUniversity of OstravaThe Museum of Czech LiteratureInstitute of ParasitologyParliamentary InstituteBiographiesPortfóliaPostersPostprintsPrague CollegePreprintsPapersProgrammesPromotional and educational ma...Progress reportsExhibition guidesInstitute of PsychologyReviewsRigorous thesesProceedingsAssociation for Integration an...The North Bohemian Museum in L...SIRIRIUniversities and collegesSilesian University in OpavaThe Silesian MuseumInstitute of Slavonic StudiesInstitute of SociologyInstitute of Sociology (CVVM)Private collegesSpecialized departmentsCzech Radioactive Waste Reposi...Statistical reportsAdministrationState Office for Nuclear Safet...Czech Agriculture and Food Ins...StudiesTechnical Museum in BrnoTechnical reportsTechnology CentreThematic collectionsPress releasesThe Museum of Decorative Arts ...University of Hradec KrálovéJan Evangelista Purkyně Univer...Charles UniversityPalacký University OlomoucUniversity of PardubiceIndustrial Property Office of ...Institute of Analytical Chemis...Institute of Inorganic Chemist...Institute of Archeological and...Institute of Vertebrate Biolog...Institute of Chemical Process ...Institute of Art HistoryInstitute of Experimental Bota...Institute of Experimental Medi...Institute of Photonics and Ele...J. Heyrovsky Institute of Phys...Institute of Physical Engineer...Institute of Atmospheric Physi...Institute of Physics of Materi...Institute of Plasma PhysicsInstitute of GeonicsInstitute of Computer ScienceNuclear Physics InstituteInstitute of Macromolecular Ch...Institute of Plant Molecular B...Institute of Molecular Genetic...Institute of Organic Chemistry...Institute of Scientific Instru...Institute of Czech LiteratureInstitute of Art History, Char...Institute of Electrical Engine...Institute of HydrodynamicsInstitute of the Czech Languag...Institute for Classical Studie...Institute of Contemporary Hist...The Institute for the Study of...Institute of Soil BiologyInstitute of Slavonic-German S...Institute of State and LawInstitute of Rock Structure an...Institute of Theoretical and A...Institute of Information Theor...Institute of ThermomechanicsInstitute of Animal Physiology...Institutes ASCRResearchPublic universitiesGazettesResearch Institute of Geodesy,...Scientific research institutio...Annual reportsUniversity of Chemistry and Te...University of Economics, Pragu...The College of European and Re...The University of Finance and ...College of Information Managem...UniversitiesBrno University of TechnologyAcademic theses (ETDs)Research institutesResearch reportsTimber Research and Developmen...Occupational Safety Research I...Forestry and Game Management R...Food Research Institute PragueResearch Institute for Labour ...Crop Research InstituteThe Silva Tarouca Research Ins...T. G. Masaryk Water Research I...WoodexpertUniversity of West Bohemia Westbohemian Museum in PilsenFinal reportsBiographiesReportsStatus reportsSurvey reports

Sort by: Display results: Output format: latest firstpublication dateauthorrecord ID asc.desc. - or rank by -word similarity 10 results25 results50 results100 results single listsplit by collection citaceHTML briefHTML brief + PSHHTML citesummaryMARCRefman RIS

National Repository of Grey Literature

2 records found

Search took 0.01 seconds.

Development of pharmacophore-guided molecular docking protocol for design of SARS-CoV-2 main protease inhibitors Klenor, Mikuláš ; Lepšík, Martin (advisor) ; Riedlová, Kamila (referee) Covid-19 is a highly contagious potentially life-threatening disease caused by the SARS-CoV-2 coronavirus. The virus is responsible for a global pandemic and has claimed over 6 million human lives between years 2020 and 2022. To limit the spread of SARS-CoV-2, numerous vaccines have been developed and applied. For already infected individuals, antiviral drugs are applied. An important validated target is the main protease of SARS-CoV-2 (Mpro ). Although thousands of inhibitors have been prepared and one is used in clinical practice (sold under the name of Paxlovid), improved computational protocols to design new active compounds are needed. The computational approach used here is based on pharmacophores. By curating and inspecting 298 structures of Mpro /inhibitors complexes retrieved from the Protein Data Bank (PDB), we have generated six distinct pharmacophores featuring different binding modes. With their aid, we have carried out molecular docking, whose effectiveness was evaluated by measuring root-mean-square deviation (RMSD) of the generated poses with respect to the native conformations. The routine captured 177 out of 213 ligands naturally binding to the active site of the protein with 127 (72% of the captured) generated with RMSD within 2 Å relative to the native conformation.... Detailed record

Rational design of Cyclin-Dependent Kinase inhibitors Klenor, Mikuláš ; Hobza, Pavel (advisor) ; Dibus, Michal (referee) Detailed record

Interested in being notified about new results for this query?
Subscribe to the RSS feed.