Andrii Y Kovalevskyi Distinguished R&D Scientist Contact 505.310.4184 | kovalevskyay@ornl.gov All Publications Dual Enhancement of Thermostability and Activity of Xylanase through Computer-Aided Rational Design Effects of SARS-CoV-2 Main Protease Mutations at Positions L50, E166, and L167 Rendering Resistance to Covalent and Noncovalent Inhibitors Characterization of alternate encounter assemblies of SARS-CoV-2 main protease Universality of critical active site glutamate as an acid–base catalyst in serine hydroxymethyltransferase function Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase Discovery of Novel Rhizoctonia solani DHFR Inhibitors as Fungicides Using Virtual Screening Insights into the mechanism of SARS-CoV-2 main protease autocatalytic maturation from model precursors Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutro... Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors 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 Miniprecursor HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering 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 half-reaction Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain 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 temperature Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17 Pagination Current page 1 Page 2 Page 3 … Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID Organizations Neutron Sciences Directorate User Facilities Spallation Neutron Source High Flux Isotope Reactor
