Daniel M Shadrack

13PUBLICATIONS
43CO-AUTHORS
Computational chemistryCrystallographyMolecular and organic electronicsMolecular targetsBiomolecular modelling and design
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Publications (13)

|Aug 25, 2026
Computational applications in secondary metabolite discovery (CAiSMD) 2026: focus on secondary metabolites towards drug discovery.

|Apr 19, 2026
Elucidating the Solvent-Dependent Solvation and Structural Stability of Irinotecan: A Molecular Simulation Study.

|Sep 28, 2023
A nanoscale study of the structure and electrical response of Sepia eumelanin.

Dieudonné Niyonkuru, Anthony Camus, Manuel Reali

|May 11, 2022
Finding alternatives to 5-fluorouracil: application of ensemble-based virtual screening for drug repositioning against human thymidylate synthase.

Denis Mteremko, Daniel M Shadrack, Fidele Ntie-Kang

|May 02, 2022
Cation-π interactions drive hydrophobic self-assembly and aggregation of niclosamide in water.

Said A H Vuai, Mtabazi G Sahini, Isaac Onoka

|Apr 28, 2022
In silico study of the inhibition of SARS-COV-2 viral cell entry by neem tree extracts.

Daniel M Shadrack, Said A H Vuai, Mtabazi G Sahini

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Frequent Collaborators

3 joint publications

Fidele Ntie-Kang

2 joint publications

Lucas Paul

1 joint publications

C N Mudogo

1 joint publications

K M Mtei