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Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules
Marondedze, EF
;
Govender, Krishna K
;
Govender, PP
(
Elsevier
,
2020-12
)
Computational development and validation of a representative MDI-BDO–based polyurethane hard segment model
Karunarathna, B
;
Jayakody, RS
;
Karunanayake, L
;
Govender, Krishna K
(
2021-01
)
Quantum mechanistic studies of the oxidation of ethylene by rhenium oxo complexes
Fosu, EA
;
Obuah, C
;
Hamenu, L
;
Aniagyei, A
;
Ainooson, MK
;
Govender, Krishna K
(
2021-08
)
Exploring the bioactivity of pentacyclic triterpenoids as potential antimycobacterial nutraceutics: Insights through comparative biomolecular modelling
Tolufashe, FF
;
Lawal, MM
;
Govender, Krishna K
;
Shode, FO
;
Singh, T
(
2021-03
)
Computational study of the mechanistic pathway of hydroxyl radical-initiated degradation of disperse red 73 dye
Wahab, OO
;
Olasunkanmi, LO
;
Govender, Krishna K
;
Govender, PP
(
2022-02
)
A DFT study of the chemical reactivity properties, spectroscopy and bioactivity scores of bioactive flavonols
Akintemi, EO
;
Govender, Krishna K
;
Singh, T
(
2022-02
)
A DFT study of two-dimensional CdS/TiS2 on isotropic chalcogenide AgSbTe2 thermoelectric material: Electronic charge transfer and optical properties
Kiarii, EM
;
Govender, Krishna K
;
Mamo, MA
;
Govender, PP
(
2022-08
)
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