Andrey Kovalevsky

Materials ScienceBiochemistry, Genetics and Molecular BiologyChemistry

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 34 papers. Top paper: “Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography”.

Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography

Nature Communications(2020)10.1038/s41467-020-16954-7

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499 citations

G.N. Phillips, Hugh O’Neill, R. Jedrzejczak, Lucy Stols, Paul Langan +4 more

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

Chemical Science(2020)10.1039/d0sc04942e

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59 citations

Diane L. Lynch, Isabella Daidone, Laura Zanetti‐Polzi, Micholas Dean Smith, Chris Chipot +14 more

Proton transfer and drug binding details revealed in neutron diffraction studies of wild-type and drug resistant HIV-1 protease

Methods in enzymology on CD-ROM/Methods in enzymology(2020)10.1016/bs.mie.2019.12.002

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7 citations

Oksana Gerlits, Kaira Beltran, Kevin L. Weiss, David A. Keen, Matthew P. Blakeley +3 more

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.09.07.286344

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1 citations

Diane L. Lynch, Isabella Daidone, Laura Zanetti-Polzi, Micholas Dean Smith, Chris Chipot +14 more

Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease

Journal of Medicinal Chemistry(2021)10.1021/acs.jmedchem.1c01475

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60 citations

Hui Li, Stephanie Galanie, G.N. Phillips, Audrey Labbé, Kevin L. Weiss +12 more

Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography

Journal of Medicinal Chemistry(2021)10.1021/acs.jmedchem.1c00058

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57 citations

G.N. Phillips, Kevin L. Weiss, Qiu Zhang, Leighton Coates, Andrey Kovalevsky +1 more

Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects

Journal of Biological Chemistry(2021)10.1016/j.jbc.2021.101007

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16 citations

Xiaolin Cheng, Mikolai Fajer, Kwok‐Yiu Ho, Jacqueline Rohrer, Oksana Gerlits +5 more

Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography

IUCrJ(2021)10.1107/s2052252521010113

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39 citations

Qiu Zhang, Leighton Coates, John M. Louis, Andrey Kovalevsky, Daniel W. Kneller

Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid–Base Catalysis

ACS Catalysis(2021)10.1021/acscatal.1c00417

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16 citations

B. Bennett, Troy Wymore, Zhihong Li, Mark A. Wilson, Charles L. Brooks +4 more

Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure

Current Research in Structural Biology(2021)10.1016/j.crstbi.2021.08.003

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12 citations

Matthew P. Blakeley, David A. Keen, Zoran Radić, Andrey Kovalevsky, Oksana Gerlits

Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17

Journal of Molecular Graphics and Modelling(2021)10.1016/j.jmgm.2021.108005

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3 citations

Daniel W. Kneller, Yuan‐Fang Wang, Andrey Kovalevsky, Irene T. Weber, S.H. Burnaman

Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease

Nature Communications(2022)10.1038/s41467-022-29915-z

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125 citations

Hui Li, G.N. Phillips, Kevin L. Weiss, Qiu Zhang, Mark A. Arnould +9 more

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature

Science Advances(2022)10.1126/sciadv.abo5083

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53 citations

Daniel W. Kneller, G.N. Phillips, Swati Pant, Silvia Russi, Aina E. Cohen +10 more

Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain

Communications Biology(2022)10.1038/s42003-022-03910-y

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37 citations

Daniel W. Kneller, Leighton Coates, Rodolfo Ghirlando, Annie Aniana, Andrey Kovalevsky +2 more

Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro

Nature Communications(2022)10.1038/s41467-022-32922-9

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35 citations

Érica T. Prates, Michael R. Garvin, Irimpan I. Mathews, B Kirtley Amos, Omar Demerdash +13 more

Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor

Journal of Molecular Biology(2022)10.1016/j.jmb.2022.167876

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21 citations

Leighton Coates, Daniel W. Kneller, Rodolfo Ghirlando, Annie Aniana, Nashaat T. Nashed +2 more

An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction

Chemical Science(2022)10.1039/d2sc02285k

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20 citations

Steven Dajnowicz, Jerry M. Parks, Matthew P. Blakeley, David A. Keen, Nicolas Coquelle +5 more

Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering

Structure(2022)10.1016/j.str.2022.09.006

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20 citations

Mikolai Fajer, Xiaolin Cheng, Donald Blumenthal, Zoran Radić, Andrey Kovalevsky +1 more

Microgravity crystallization of perdeuterated tryptophan synthase for neutron diffraction

npj Microgravity(2022)10.1038/s41526-022-00199-3

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12 citations

Juliette M. Devos, Matthew P. Blakeley, V. Trevor Forsyth, Andrey Kovalevsky, Constance A. Schall +2 more

HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics

Journal of Molecular Graphics and Modelling(2022)10.1016/j.jmgm.2022.108315

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6 citations

Yuan-Fang Wang, Daniel W. Kneller, Andrey Kovalevsky, Arun K. Ghosh, Robert W. Harrison +2 more

Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor

Physical Chemistry Chemical Physics(2022)10.1039/d1cp05487b

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4 citations

Oksana Gerlits, Luke L. Daemen, Ànna Pavlova, James C. Gumbart, Yongqiang Cheng +2 more

Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease: room-temperature X-ray and neutron crystallography, binding thermodynamics, and antiviral activity

Research Square(2022)10.21203/rs.3.rs-1318037/v1

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5 citations

Hui Li, G.N. Phillips, Kevin L. Weiss, Qiu Zhang, Mark A. Arnould +9 more

The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and X-ray diffraction at room temperature

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.02.07.479477

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4 citations

Daniel W. Kneller, G.N. Phillips, Swati Pant, Silvia Russi, Aina E. Cohen +10 more

Insights into the mechanism of SARS-CoV-2 main protease autocatalytic maturation from model precursors

Communications Biology(2023)10.1038/s42003-023-05469-8

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28 citations

Nashaat T. Nashed, Rodolfo Ghirlando, Leighton Coates, Daniel W. Kneller, Andrey Kovalevsky +2 more

Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors

Journal of Biological Chemistry(2023)10.1016/j.jbc.2023.104886

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27 citations

Annie Aniana, Leighton Coates, Peter V. Bonnesen, Nashaat T. Nashed, John M. Louis +1 more

Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography

Communications Chemistry(2023)10.1038/s42004-023-00964-9

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10 citations

Cláudia Barbosa Ladeira de Campos, Mattea Hooper, Aliyah Collins, Oksana Gerlits, Kevin L. Weiss +4 more

Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease

Journal of Molecular Biology(2024)10.1016/j.jmb.2024.168616

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10 citations

Annie Aniana, Leighton Coates, Rodolfo Ghirlando, Nashaat T. Nashed, John M. Louis +1 more

Characterization of alternate encounter assemblies of SARS-CoV-2 main protease

Journal of Biological Chemistry(2024)10.1016/j.jbc.2024.107675

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10 citations

Nashaat T. Nashed, Rodolfo Ghirlando, Victoria N. Drago, Andrey Kovalevsky, John M. Louis +1 more

Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase

Cell Reports Physical Science(2024)10.1016/j.xcrp.2024.101827

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9 citations

Juliette M. Devos, Matthew P. Blakeley, V. Trevor Forsyth, Jerry M. Parks, Andrey Kovalevsky +2 more

Universality of critical active site glutamate as an acid–base catalyst in serine hydroxymethyltransferase function

Chemical Science(2024)10.1039/d4sc03187c

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9 citations

Robert S. Phillips, Andrey Kovalevsky, Victoria N. Drago

Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE

Chemico-Biological Interactions(2025)10.1016/j.cbi.2025.111649

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4 citations

Oksana Gerlits, Megan Kucharski, Lukáš Górecki, Nichole Joiner, Andrey Kovalevsky +2 more

Potent HIV‑1 protease inhibitors containing oxabicyclo octanol-derived P2-ligands: Design, synthesis, and X‑ray structural studies of inhibitor-HIV-1 protease complexes

Bioorganic & Medicinal Chemistry Letters(2025)10.1016/j.bmcl.2025.130109

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3 citations

Monika Yadav, Ashish Sharma, Megan Johnson, Ajay K. Ghosh, Rangu Prasad +5 more

Design, synthesis, evaluation and X-ray structural studies of potent HIV-1 protease inhibitors containing substituted oxaspirocyclic carbamates as the P2 ligands

European Journal of Medicinal Chemistry(2025)10.1016/j.ejmech.2025.117880

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0 citations

Ryan Shaktah, Ajay K. Ghosh, Megan Johnson, Dipendra Bhandari, Masayuki Amano +4 more

Environmental Contributions to Proton Sharing in Protein Low-Barrier Hydrogen Bonds

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.11.05.686872

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0 citations

Oksana Gerlits, Daniel W. Kneller, Kevin L. Weiss, Leighton Coates, Mark A. Hix +5 more