Browsing by Author "Deogratias, Geradius"
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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; Ntie‐Kang, FideleItem 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 Investigation of optoelectronic properties of triphenylamine-based dyes featuring heterocyclic anchoring groups for DSSCs’ applications: a theoretical study(Springer Nature Switzerland AG.) Deogratias, Geradius; Al-Qurashi, Ohoud S.; Wazzan, Nuha; Seriani, Nicola; Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M.Item 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 Molecular modification of dye constituents through grafting anchoring groups and pi-spacers: towards DSSCs application(NM-AIST) Deogratias, GeradiusItem Molecular modification of dye constituents through grafting anchoring groups and pi-spacers: towards DSSCs application(NM-AIST) Deogratias, GeradiusItem Tuning optoelectronic properties of triphenylamine based dyes through variation of pi-conjugated units and anchoring groups: A DFT/TD-DFT investigation.(Elsevier Inc.) Deogratias, Geradius; Seriani, Nicola; Pogrebnaya, Tatiana; Pogrebnoi, Alexander