Browsing by Author "Shadrack, Daniel"
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Item A Molecular Investigation of the Solvent Influence on Inter- and Intra-Molecular Hydrogen Bond Interaction of Linamarin(MDPI) Paul, Lucas; Deogratias, Geradius; Shadrack, Daniel; Mudogo, Celestin; Mtei, Kelvin; Machunda, Revocatus; Paluch, Andrew; NtieāKang, FideleItem Abrogating the nsp10ānsp16 switching mechanisms in SARS-CoV-2 by phytochemicals from Withania somnifera: a molecular dynamics study(Taylor & Francis Online) Vuai, Said; Onoka, Isaac; Sahini, Mtabazi; Swai, Hulda; Shadrack, DanielItem Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms(Elsevier Ltd.) Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Swai, Hulda; Vianney, John-Mary; Nyandoro, StephenItem Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics(Springer Nature) Shadrack, Daniel; Deogratias, Geradius; Kiruri, Lucy; Onoka, Isaac; Vianney, John-Mary; Swai, Hulda; Nyandoro, StephenItem Structural characterization of cassava linamarase-linamarin enzyme complex: an integrated computational approach(Taylor & Francis Group) Paul, Lucas; Shadrack, Daniel; Mudogo, Celestin; Mtei, Kelvin; Machunda, Revocatus; NtieāKang, Fidele