Andrii Y Kovalevskyi Distinguished R&D Scientist Contact kovalevskyay@ornl.gov | 505.310.4184 All Publications 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... Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects... 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... Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19... Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography... Malleability of the SARS-CoV-2 3CL Mpro Active-Site Cavity Facilitates Binding of Clinical Antivirals... Unusual zwitterionic catalytic site of SARS–CoV-2 main protease revealed by neutron crystallography... Room-temperature neutron and X-ray data collection of 3CL M pro from SARS-CoV-2... Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: insi... Substrate Binding Stiffens Aspartate Aminotransferase by Altering the Enzyme Picosecond Vibrational Dynamics... Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography... Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug De... Rational design, synthesis, and evaluation of uncharged, “smart” bis-oxime antidotes of organophosphate-inhibited human a... Chapter Twelve - Proton transfer and drug binding details revealed in neutron diffraction studies of wild-type and drug resis... IMAGINE: The neutron protein crystallography beamline at the high flux isotope reactor... Pyridoxal 5′-phosphate dependent reactions: Analyzing the mechanism of aspartate aminotransferase... Protein kinase A in the neutron beam: Insights for catalysis from directly observing protons... First Experiments New Science Opportunities at the Spallation Neutron Source Second Target Station (abridged)... Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reactio... First Experiments: New Science Opportunities at the Spallation Neutron Source Second Target Station... A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies... Pagination First page « First Previous page ‹‹ Page 1 Current 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