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Viruses|July 29, 2023
In Silico Substrate-Binding Profiling for SARS-CoV-2 Main Protease (Mpro) Using Hexapeptide SubstratesSophakama Zabo, Kevin Alan LobbComputational and Structural Biotechnology Journal|June 4, 2020
Determining the unbinding events and conserved motions associated with the pyrazinamide release due to resistance mutations of Mycobacterium tuberculosis pyrazinamidaseOlivier Sheik Amamuddy, Thommas Mutemi Musyoka, Rita Afriyie Boateng, et al.Molecules (Basel, Switzerland)|March 10, 2022
New Insights into the (A)Synchronicity of Diels-Alder Reactions: A Theoretical Study Based on the Reaction Force Analysis and Atomic Resolution of Energy DerivativesBienfait Kabuyaya Isamura, Kevin Alan LobbMolecules (Basel, Switzerland)|December 11, 2022
Insights into the Dynamics and Binding of Two Polyprotein Substrate Cleavage Points in the Context of the SARS-CoV-2 Main and Papain-like ProteasesZainab Kemi Sanusi, Kevin Alan LobbJournal of Molecular Modeling|September 22, 2022
A multiscale ONIOM study of the buckminsterfullerene (C60) Diels-Alder reaction: from model design to reaction path analysisBienfait Kabuyaya Isamura, Kevin Alan LobbCurrent Computer-Aided Drug Design|April 20, 2026
Comparative Structural and Functional Analysis of Plasmodium Type II Nicotinamide Adenine Dinucleotide: Quinone Oxidoreductase and its Human Homologue, Apoptosis-Inducing Factor, Mitochondrion-associated 1 (AIF-M1)Bertha Cinthia Baye, Vuyani Moses, Samuel Chima Ugbaja, et al.Pageof 1