Andrii Y Kovalevskyi Distinguished R&D Scientist Contact kovalevskyay@ornl.gov | 505.310.4184 All Publications Discovering and Designing a Chimeric Hyperthermophilic Chitinase for Crystalline Chitin Degradation... AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2... Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecurso... HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements an... Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutr... Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro... An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second... Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease cat... EWALD: A Macromolecular Diffractometer for the Second Target Station... Microgravity crystallization of perdeuterated tryptophan synthase for neutron diffraction... The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room... Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor... Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease... Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibit... Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17... High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor... Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography... Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Proteas... Identification and structural analysis of a thermophilic β-1,3-glucanase from compost... Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects... Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron struct... Characterization and structural analysis of a thermophilic GH11 xylanase from compost metatranscriptome... Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid–Base Catalysis... Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallog... Probing the SARS-CoV-2 main protease active site as a target to inhibit viral replication... Pagination Current page 1 Page 2 Page 3 … Next page ›› Last page Last » Curriculum Vitae ORCID Organizations Neutron Sciences Directorate User Facilities High Flux Isotope Reactor
