Daniel M Shadrack

12PUBLICATIONS
16CO-AUTHORS
CrystallographyMolecular and organic electronicsMolecular targetsBiomolecular modelling and designCheminformatics and quantitative structure-activity relationships
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Publications (12)

|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
<i>In silico</i> 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

|Nov 09, 2021
Relaxed complex scheme and molecular dynamics simulation suggests small molecule inhibitor of human TMPRSS2 for combating COVID-19.

Said A H Vuai, Marcelina M Ogedjo, Onoka Isaac

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Frequent Collaborators

2 joint publications

Lucas Paul

2 joint publications

Fidele Ntie-Kang

1 joint publications

C N Mudogo

1 joint publications

K M Mtei