Andrey Y Kovalevsky (A Kovalevsky, Andrey Kovalevsky)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 40

Top Venues

Journal of chemical information and modeling

Chemical science

Nature communications

Biochemistry

Oak Ridge National Laboratory

University at Buffalo - North Campus (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Oak Ridge National Laboratory Aug 25 2012

United States

Senior R&D Scientist :: Neutron Sciences Directorate

Los Alamos National Laboratory Bioscience Division Oct 01 2010 - Aug 24 2012

United States

Scientist

Los Alamos National Laboratory Jun 25 2007 - Sep 01 2010

United States

Postdoctoral Fellow :: Biosciences Division

Education History

University at Buffalo - North Campus Sep 01 1999 - Sep 01 2003

United States

PHD :: Chemistry

University of Kharkiv Sep 01 1991 - Sep 01 1996

Ukraine

MSC :: Chemistry

Publications

Victoria N Drago, Robert S Phillips, Andrey Y Kovalevsky
Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function. Chemical science 15 (32) (2024)
Victoria N Drago, Robert S Phillips, Andrey Y Kovalevsky
Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function. Chemical science 15 (32) (2024)
Victoria N Drago, Robert S Phillips, Andrey Y Kovalevsky
Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function. Chemical science 15 (32) (2024)
Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J Kombala, Daniel W Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen Beth Jonsson, Kristoffer R Brandvold, Mowei Zhou, Martha S Head, Andrey Y Kovalevsky, Neeraj Kumar
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. Journal of chemical information and modeling 63 (5) (2023)
Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J Kombala, Daniel W Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen Beth Jonsson, Kristoffer R Brandvold, Mowei Zhou, Martha S Head, Andrey Y Kovalevsky, Neeraj Kumar
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. Journal of chemical information and modeling (2023)
Annie Aniana, Nashaat T Nashed, Rodolfo Ghirlando, Leighton Coates, Daniel W Kneller, Andrey Y Kovalevsky, John M Louis
Insights into the mechanism of SARS-CoV-2 main protease autocatalytic maturation from model precursors. Communications biology 6 (1) (2023)
Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J Kombala, Daniel W Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen Beth Jonsson, Kristoffer R Brandvold, Mowei Zhou, Martha S Head, Andrey Y Kovalevsky, Neeraj Kumar
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. Journal of chemical information and modeling (2023)
Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J Kombala, Daniel W Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen Beth Jonsson, Kristoffer R Brandvold, Mowei Zhou, Martha S Head, Andrey Y Kovalevsky, Neeraj Kumar
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. Journal of chemical information and modeling 63 (5) (2023)
Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J Kombala, Daniel W Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen Beth Jonsson, Kristoffer R Brandvold, Mowei Zhou, Martha S Head, Andrey Y Kovalevsky, Neeraj Kumar
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. Journal of chemical information and modeling (2023)
Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson, Agustin Kruel, Rohith Anand Varikoti, Chathuri J Kombala, Daniel W Kneller, Stephanie Galanie, Gwyndalyn Phillips, Qiu Zhang, Leighton Coates, Jyothi Parvathareddy, Surekha Surendranathan, Ying Kong, Austin Clyde, Arvind Ramanathan, Colleen Beth Jonsson, Kristoffer R Brandvold, Mowei Zhou, Martha S Head, Andrey Y Kovalevsky, Neeraj Kumar
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. Journal of chemical information and modeling (2023)
Victoria N Drago, Claudia Campos, Mattea Hooper, Aliyah Collins, Oksana Gerlits, Kevin L Weiss, Matthew P Blakeley, Robert S Phillips, Andrey Y Kovalevsky
Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography. Communications chemistry 6 (1) (2023)
Ruirui Feng, Bo Sun, Shengkai Zhang, Erzheng Su, Andrey Y Kovalevsky, Feng Zhang, Brad C Bennett, Qirong Shen, Qun Wan
Discovery of Novel Rhizoctonia solani DHFR Inhibitors as Fungicides Using Virtual Screening. Journal of agricultural and food chemistry (2023)
Galen J Correy, Daniel W Kneller, Gwyndalyn Phillips, Swati Pant, Silvia Russi, Aina E Cohen, George Meigs, James M Holton, Stefan Gahbauer, Michael C Thompson, Alan Ashworth, Leighton Coates, Andrey Y Kovalevsky, Flora Meilleur, Brian K Shoichet
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 8 (21) (2022)
Victoria N Drago, Steven Dajnowicz, Jerry M Parks, Matthew P Blakeley, David A Keen, Nicolas Coquelle, Kevin L Weiss, Oksana Gerlits, Andrey Y Kovalevsky, Timothy C Mueser
An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction. Chemical science 13 (34) (2022)
Nashaat T Nashed, Daniel W Kneller, Leighton Coates, Rodolfo Ghirlando, Annie Aniana, Andrey Y Kovalevsky, John M Louis
Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain. Communications biology 5 (1) (2022)
Victoria N Drago, Juliette M Devos, Matthew P Blakeley, V Trevor Forsyth, Andrey Y Kovalevsky, Constance A Schall, Timothy C Mueser
Microgravity crystallization of perdeuterated tryptophan synthase for neutron diffraction. NPJ microgravity 8 (1) (2022)
Gloria E O Borgstahl, William B O'Dell, Martin Egli, Jan F Kern, Andrey Y Kovalevsky, Jiao Y Y Lin, Dean Myles, Mark A Wilson, Wen Zhang, Petrus Zwart, Leighton Coates
EWALD: A macromolecular diffractometer for the second target station. The Review of scientific instruments 93 (6) (2022)
Daniel W Kneller, Oksana Gerlits, Luke L Daemen, Anna Pavlova, James C Gumbart, Yongqiang Cheng, Andrey Y Kovalevsky
Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor. Physical chemistry chemical physics : PCCP 24 (6) (2022)
Daniel Kneller, Hui Li, Gwyndalyn Phillips, Kevin L Weiss, Qiu Zhang, Mark A Arnould, Colleen Jonsson, Surekha Surendranathan, Jyothi Parvathareddy, Matthew P Blakeley, Leighton Coates, John M Louis, Peter V Bonnesen, Andrey Y Kovalevsky
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)
Mikhail A Hameedi, Erica T Prates, Michael R Garvin, Irimpan I Mathews, B Kirtley Amos, Omar Demerdash, Mark Bechthold, Mamta Iyer, Simin Rahighi, Daniel W Kneller, Andrey Y Kovalevsky, Stephan Irle, Van Quan Vuong, Julie C Mitchell, Audrey Labbe, Stephanie Galanie, Soichi Wakatsuki, Daniel A Jacobson
Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro. Nature communications 13 (1) (2022)
Daniel W Kneller, Hui Li, Gwyndalyn Phillips, Kevin L Weiss, Qiu Zhang, Mark A Arnould, Colleen B Jonsson, Surekha Surendranathan, Jyothi Parvathareddy, Matthew P Blakeley, Leighton Coates, John M Louis, Peter V Bonnesen, Andrey Y Kovalevsky
Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease. Nature communications 13 (1) (2022)
Daniel W Kneller, Hui Li, Stephanie Galanie, Gwyndalyn Phillips, Audrey Labbé, Kevin L Weiss, Qiu Zhang, Mark A Arnould, Austin Clyde, Heng Ma, Arvind Ramanathan, Colleen Beth Jonsson, Martha S Head, Leighton Coates, John M Louis, Peter V Bonnesen, Andrey Y Kovalevsky
Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. Journal of medicinal chemistry 64 (23) (2021)
Qun Wan, Brad C Bennett, Troy Wymore, Zhihong Li, Mark A Wilson, Charles L Brooks Iii, Paul Langan, Andrey Y Kovalevsky, Chris G Dealwis
Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis. ACS catalysis 11 (9) (2021)
Mikhail Ali Hameedi, Erica T Prates, Michael R Garvin, Irimpan Mathews, B Kirtley Amos, Omar Demerdash, Mark Bechthold, Mamta Iyer, Simin Rahighi, Daniel W Kneller, Andrey Y Kovalevsky, Stephan Irle, Van-Quan Vuong, Julie C Mitchell, Audrey Labbe, Stephanie Galanie, Soichi Wakatsuki, Daniel A Jacobson
Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro. bioRxiv : the preprint server for biology (2021)
Daniel W Kneller, Qiu Zhang, Leighton Coates, John M Louis, Andrey Y Kovalevsky
Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography. IUCrJ 8 (Pt 6) (2021)
Austin Clyde, Stephanie Galanie, Daniel W Kneller, Heng Ma, Yadu Babuji, Ben Blaiszik, Alexander Brace, Thomas Brettin, Kyle Chard, Ryan Chard, Leighton Coates, Ian Foster, Darin Hauner, Vlimos Kertesz, Neeraj Kumar, Hyungro Lee, Zhuozhao Li, Andre Merzky, Jurgen G Schmidt, Li Tan, Mikhail Titov, Anda Trifan, Matteo Turilli, Hubertus Van Dam, Srinivas C Chennubhotla, Shantenu Jha, Andrey Y Kovalevsky, Arvind Ramanathan, Martha S Head, Rick Stevens
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. Journal of chemical information and modeling (2021)
Daniel W Kneller, Gwyndalyn Phillips, Kevin L Weiss, Qiu Zhang, Leighton Coates, Andrey Y Kovalevsky
Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography. Journal of medicinal chemistry 64 (8) (2021)
Daniel W Kneller, Gwyndalyn Phillips, Hugh M O'Neill, Kemin Tan, Andrzej Joachimiak, Leighton Coates, Andrey Y Kovalevsky
Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: insights into enzyme mechanism and drug design. IUCrJ 7 (Pt 6) (2020)
Anna Pavlova, Diane L Lynch, Isabella Daidone, Laura Zanetti-Polzi, Micholas Dean Smith, Chris Chipot, Daniel W Kneller, Andrey Y Kovalevsky, Leighton Coates, Andrei A Golosov, Callum J Dickson, Camilo Velez-Vega, José S Duca, Josh Vincent Vermaas, Yui Tik Pang, Atanu Acharya, Jerry M Parks, Jeremy C Smith, James C Gumbart
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease. Chemical science 12 (4) (2020)
Daniel W Kneller, Gwyndalyn Phillips, Andrey Y Kovalevsky, Leighton Coates
Room-temperature neutron and X-ray data collection of 3CL Mpro from SARS-CoV-2. Acta crystallographica. Section F, Structural biology communications 76 (Pt 10) (2020)
Daniel W Kneller, Gwyndalyn Phillips, Hugh Michael O'Neill, Robert Jedrzejczak, Lucy Stols, Paul Langan, Andrzej Joachimiak, Leighton Coates, Andrey Y Kovalevsky
Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography. Nature communications 11 (1) (2020)
Atanu Acharya, Rupesh Agarwal, M B Baker, Jerome Y Baudry, Debsindhu Bhowmik, S Boehm, K G Byler, S Y Chen, Leighton Coates, Connor J Cooper, O Demerdash, Isabella Daidone, J D Eblen, S Ellingson, Stefano Forli, J Glaser, James C Gumbart, J Gunnels, O Hernandez, Stephan Irle, D W Kneller, Andrey Y Kovalevsky, J Larkin, T J Lawrence, S LeGrand, Shih-Hsien Liu, J C Mitchell, G Park, Jerry M Parks, A Pavlova, Loukas Petridis, D Poole, L Pouchard, A Ramanathan, David M Rogers, D Santos-Martins, A Scheinberg, Ada Sedova, Y Shen, Micholas D Smith, Micholas Dean Smith, C Soto, A Tsaris, M Thavappiragasam, A F Tillack, Josh Vincent Vermaas, V Q Vuong, J Yin, S Yoo, M Zahran, Laura Zanetti-Polzi
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. Journal of chemical information and modeling 60 (12) (2020)
Oksana Gerlits, Xiaotian Kong, Xiaolin Cheng, Troy Wymore, Donald K Blumenthal, Palmer Taylor, Zoran Radić, Andrey Y Kovalevsky
Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. The Journal of biological chemistry 294 (27) (2019)
Oksana Gerlits, Kevin L Weiss, Matthew P Blakeley, Gianluigi Veglia, Susan S Taylor, Andrey Y Kovalevsky
Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex. Science advances 5 (3) (2019)
Oksana Gerlits, James C Campbell, Matthew P Blakeley, Choel Kim, Andrey Y Kovalevsky
Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator. Biochemistry 57 (12) (2018)
Oksana Gerlits, David A Keen, Matthew P Blakeley, John M Louis, Irene T Weber, Andrey Y Kovalevsky
Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K. Journal of medicinal chemistry 60 (5) (2017)
John-Paul Bacik, Sophanit Mekasha, Zarah Forsberg, Andrey Y Kovalevsky, Gustav Vaaje-Kolstad, Vincent G H Eijsink, Jay C Nix, Leighton Coates, Matthew J Cuneo, Clifford J Unkefer, Julian C H Chen
Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation. Biochemistry 56 (20) (2017)
Oksana O Gerlits, Leighton Coates, Robert J Woods, Andrey Y Kovalevsky
Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography. Biochemistry 56 (36) (2017)
Steven Dajnowicz, Ryne C Johnston, Jerry M Parks, Matthew P Blakeley, David A Keen, Kevin L Weiss, Oksana Gerlits, Andrey Y Kovalevsky, Timothy C Mueser
Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme. Nature communications 8 (1) (2017)
Oksana Gerlits, Troy Wymore, Amit Das, Chen-Hsiang Shen, Jerry M Parks, Jeremy C Smith, Kevin L Weiss, David A Keen, Matthew P Blakeley, John M Louis, Paul Langan, Irene T Weber, Andrey Y Kovalevsky
Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site. Angewandte Chemie (International ed. in English) 55 (16) (2016)

Andrey Y Kovalevsky.css-eqlu8i{font-size:small;padding-left:4px;} (A Kovalevsky, Andrey Kovalevsky)

Publication Activity (10 Years)

Top Topics

Top Venues

Andrey Y Kovalevsky (A Kovalevsky, Andrey Kovalevsky)