Andrii Y Kovalevskyi Distinguished R&D Scientist Contact KOVALEVSKYAY@ORNL.GOV All Publications Influence of steric and electronic properties of P2 groups on covalent inhibitor binding to SARS-CoV-2 main protease Design, synthesis, evaluation and X-ray structural studies of potent HIV-1 protease inhibitors containing substituted oxaspirocyclic carbamates as the P2 ligands Potent HIV‑1 protease inhibitors containing oxabicyclo octanol-derived P2-ligands: Design, synthesis, and X‑ray structura... Neutrons in Structural Biology: Challenges and Opportunities Workshop Report Effects of SARS-CoV-2 Main Protease Mutations at Positions L50, E166, and L167 Rendering Resistance to Covalent and Noncovalent Inhibitors Dual Enhancement of Thermostability and Activity of Xylanase through Computer-Aided Rational Design 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 HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor 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 The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature Microgravity crystallization of perdeuterated tryptophan synthase for neutron diffraction 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
