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Journal of Biomolecular Structure & Dynamics|April 7, 2022
Molecular insights to the binding interactions of APNS containing HIV-protease inhibitors against SARS-CoV-2 M<sup>pro</sup>: an <i>in silico</i> approach towards drug repurposingPriyanka Purohit, Jiban Jyoti Dash, Jules Tshishimbi Muya, et al.The Journal of Physical Chemistry. A|May 5, 2020
Interplay between σ Holes, Anion···H-C, and Cation-π Interactions in Dibromo[2,2]paracyclophane ComplexesJules Tshishimbi Muya, Bienfait Kabuyaya Isamura, Issofa Patouossa, et al.The Journal of Physical Chemistry. A|November 27, 2019
Electronic Structure and Photoluminescence Properties of Eu(η<sup>9</sup>-C<sub>9</sub>H<sub>9</sub>)<sub>2</sub>Harry Ramanantoanina, Lynda Merzoud, Jules Tshishimbi Muya, et al.Journal of Biomolecular Structure & Dynamics|August 21, 2023
Theoretical insights into the binding interaction of Nirmatrelvir with SARS-CoV-2 Mpro mutants (C145A and C145S): MD simulations and binding free-energy calculation to understand drug resistancePriyanka Purohit, Madhusmita Panda, Jules Tshishimbi Muya, et al.Journal of Molecular Modeling|March 15, 2016
Hydrogen bonded and stacked geometries of the temozolomide dimerOkuma Emile Kasende, Jules Tshishimbi Muya, Vincent de Paul N Nziko, et al.The Journal of Physical Chemistry. A|August 3, 2012
Theoretical study of the regioselectivity of the interaction of 3-methyl-4-pyrimidone and 1-methyl-2-pyrimidone with Lewis acidsOkuma Emile Kasende, Jules Tshishimbi Muya, Lies Broeckaert, et al.Journal of Molecular Modeling|April 23, 2025
Pyrolysis of bioethanol and biobutanol: A thermodynamic and kinetic studyChristian Tshikala Mukeba, Mireille Kabuyi Bilonda, Haddy Mbuyi Katshiatshia, et al.Physical Chemistry Chemical Physics : PCCP|March 16, 2019
Formation of the quasi-planar B<sub>50</sub> boron cluster: topological path from B<sub>10</sub> and disk aromaticityHung Tan Pham, Jules Tshishimbi Muya, Fernando Buendía, et al.Physical Chemistry Chemical Physics : PCCP|December 14, 2018
Valence bonds in planar and quasi-planar boron disksIssofa Patouossa, Athanasios G Arvanitidis, Jules Tshishimbi Muya, et al.Journal of Computational Chemistry|October 16, 2020
Structure, stability and bonding of the leapfrog B<sub>24</sub> <sup>0</sup> <sup>,±1,±2</sup>Jules Tshishimbi Muya, Bienfait Kabuyaya Isamura, Issofa Patouossa, et al.Pageof 3