Daniel W. Kneller

Biochemistry, Genetics and Molecular Biology

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 19 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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

59 citations

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

57 citations

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

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

IUCrJ(2021)10.1107/s2052252521010113

N/A

0DataRank · unranked

39 citations

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

Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PRS17

Biochemical and Biophysical Research Communications(2021)10.1016/j.bbrc.2021.05.094

N/A

0DataRank · unranked

8 citations

Daniel W. Kneller, Arun K. Ghosh, Irene T. Weber, Johnson Agniswamy

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

21 citations

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

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

N/A

0DataRank · unranked

28 citations

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

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

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

N/A

0DataRank · unranked

0 citations

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