Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Sebastjan Kralj"'
Publikováno v:
Encyclopedia, Vol 3, Iss 2, Pp 501-511 (2023)
Efficient chemical library design for high-throughput virtual screening and drug design requires a pre-screening filter pipeline capable of labeling aggregators, pan-assay interference compounds (PAINS), and rapid elimination of swill (REOS); identif
Externí odkaz:
https://doaj.org/article/3cdab7aa869545a993fd4ae0a383886c
Autor:
Sebastjan Kralj, Marko Jukič, Miha Bahun, Luka Kranjc, Anja Kolarič, Milan Hodošček, Nataša Poklar Ulrih, Urban Bren
Publikováno v:
Pharmaceutics, Vol 16, Iss 2, p 169 (2024)
The global impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and its companion disease, COVID-19, has reminded us of the importance of basic coronaviral research. In this study, a comprehensive approach using molecular docking, i
Externí odkaz:
https://doaj.org/article/3c4e65d0283c4038b4427513c9055e91
Publikováno v:
Pharmaceuticals, Vol 16, Iss 8, p 1170 (2023)
Peptides, or short chains of amino-acid residues, are becoming increasingly important as active ingredients of drugs and as crucial probes and/or tools in medical, biotechnological, and pharmaceutical research. Situated at the interface between small
Externí odkaz:
https://doaj.org/article/f70584f3a4904eacbb8f9349671faaf2
Autor:
Sebastjan Kralj, Milan Hodošček, Barbara Podobnik, Tanja Kunej, Urban Bren, Dušanka Janežič, Janez Konc
Publikováno v:
Frontiers in Chemistry, Vol 9 (2021)
In a survey of novel interactions between an IgG1 antibody and different Fcγ receptors (FcγR), molecular dynamics simulations were performed of interactions of monoclonal antibody involved complexes with FcγRs. Free energy simulations were also pe
Externí odkaz:
https://doaj.org/article/6958fa5073c8416abeb2973a1a3f699c
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 10, p 5727 (2022)
High-throughput virtual screening (HTVS) is, in conjunction with rapid advances in computer hardware, becoming a staple in drug design research campaigns and cheminformatics. In this context, virtual compound library design becomes crucial as it gene
Externí odkaz:
https://doaj.org/article/c09b492d703044dd9164c5279bf4dd9d
Publikováno v:
International Journal of Molecular Sciences, Vol 23, Iss 1, p 393 (2021)
Since December 2019, the new SARS-CoV-2-related COVID-19 disease has caused a global pandemic and shut down the public life worldwide. Several proteins have emerged as potential therapeutic targets for drug development, and we sought out to review th
Externí odkaz:
https://doaj.org/article/3f811498750b4eec94e1f9acdffb557a
Publikováno v:
Computer Science Protecting Human Society Against Epidemics ISBN: 9783030865818
COVID-19 is a disease caused by severe acute respiratory syndrome coronavirus 2 or SARS-CoV-2 pathogen. Although a number of new vaccines are available to combat this threat, a high prevalence of novel mutant viral variants is observed in all world r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a026e076eabd75be61327d5f328cd6b7
https://doi.org/10.1007/978-3-030-86582-5_1
https://doi.org/10.1007/978-3-030-86582-5_1
