Browsing by Author "Shadrack, Daniel M."
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Item A computational study on the role of water and conformational fluctuations in Hsp90 in response to inhibitors(Elsevier Inc.) Shadrack, Daniel M.; Swai, Hulda; Hassanali, AliItem Abrogating the nsp10–nsp16 switching mechanisms in SARS-CoV-2 by phytochemicals from Withania somnifera: a molecular dynamics study(Taylor & Francis) Vuai, Said A. H.; Onokaa, Isaac; Sahini, Mtabazi G.; Swai, Hulda S.; Shadrack, Daniel M.Item Cation–π interactions drive hydrophobic self-assembly and aggregation of niclosamide in water †(The Royal Society of Chemistry) Vuai, Said A. H.; Sahini, Mtabazi G.; Onoka, Isaac; Kiruri, Lucy W.; Shadrack, Daniel M.Item In Silico Evaluation of Anti-Malarial Agents from Hoslundia opposita as Inhibitors of Plasmodium falciparum Lactate Dehydrogenase (P f LDH) Enzyme(Scientific Research) Shadrack, Daniel M.; Nyandoro, Stephen S.; Munissi, Joan J. E.; Mubofu, Egid B.Item Polyamidoamine Dendrimers for Enhanced Solubility of Small Molecules and Other Desirable Properties for Site Specific Delivery: Insights from Experimental and Computational Studies(MDPI) Shadrack, Daniel M.; Swai, Hulda; Munissi, Joan J. E.; Mubofu, Egid B.; Nyandoro, Stephen S.Item Solvent effects on host-guest residence time and kinetics: further insights from metadynamics simulation of Toussaintine-A unbiding from chitosan nanoparticle(Springer Nature Switzerland AG.) Shadrack, Daniel M.; Kiruri, Lucy W.; Swai, Hulda; Nyandoro, Stephen S.Item Solvent effects on molecular encapsulation of Toussantine-A by chitosan nanoparticle: A metadynamics study(Elsevier) Shadrack, Daniel M.; Swai, HuldaItem Synthesis of Polyamidoamine Dendrimer for Encapsulating Tetramethylscutellarein for Potential Bioactivity EnhancementShadrack, Daniel M.; Mubofu, Egid B.; Nyandoro, Stephen S.Item Synthesis of Polyamidoamine Dendrimer for Encapsulating Tetramethylscutellarein for Potential Bioactivity EnhancementShadrack, Daniel M.; Mubofu, Egid B.; Nyandoro, Stephen S.