Bienfait Kabuyaya Isamura
9PUBLICATIONS
18CO-AUTHORS
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Publications (9)
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|Dec 18, 2025
CHQuant: A Protocol for Quantifying Conformational Sampling with Convex Hulls.Jaiming J K Chung, Bienfait K Isamura, Paul L A Popelier
|Feb 18, 2025
Accurate prediction of electron correlation energies of topological atoms by delta learning from the Müller approximation.Prasanta Bandyopadhyay, Bienfait K Isamura, Paul L A Popelier
|Mar 31, 2024
Unraveling the crystal structure, stability and drug likeness of 1,3,4-oxadiazole derivatives against Myelofibrosis: a combined experimental and computational investigation.Lohith Tumakuru Nagarajappa, Santhosh Chikkappaiahnayaka, Mofeli Benedict Leoma
|Sep 21, 2023
Exploring the antioxidant, antimicrobial, cytotoxic and biothermodynamic properties of novel morpholine derivative bioactive Mn(ii), Co(ii) and Ni(ii) complexes - combined experimental and theoretical measurements towards DNA/BSA/SARS-CoV-2 3CLPro.Karunganathan Sakthikumar, Bienfait Kabuyaya Isamura, Rui Werner Maçedo Krause
|Dec 28, 2022
SARS-CoV-2 Mpro binding profile and drug-likeness of two novel thiazole derivatives: structural elucidation, DFT studies, ADME-T and molecular docking simulations.Lohith Tumakuru Nagarajappa, Krishna Ravi Singh, Bienfait Kabuyaya Isamura
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Frequent Collaborators
3 joint publications
Paul L A Popelier
2 joint publications
Maralinganadoddi P Sadashiva
2 joint publications
Sridhar Mandayam Anandalwar
2 joint publications
Karunganathan Sakthikumar
2 joint publications
Rui Werner Maçedo Krause
2 joint publications
Lohith Tumakuru Nagarajappa
2 joint publications
Krishna Ravi Singh
1 joint publications
Prasanta Bandyopadhyay
1 joint publications
Kishorkumar Sindogi
1 joint publications
Minh Tho Nguyen