Contact Information kovalevskyay@ornl.gov 505.310.4184 orcid.org/0000-0003-4459-9142 LinkedIn Related Organizations Neutron Sciences Directorate User Facilities High Flux Isotope Reactor Andrii Y Kovalevskyi Senior R&D Scientist Download CV All Publications 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 inhibit... High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor... Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17... Identification and structural analysis of a thermophilic β-1,3-glucanase from compost... 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... 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... Pagination Current page 1 Page 2 Page 3 Next page ›› Last page Last »
