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Daniel W Kneller

13PUBLICATIONS
48CO-AUTHORS
Proteomics and intermolecular interactions (excl. medical proteomics)Medical molecular engineering of nucleic acids and proteinsCheminformatics and quantitative structure-activity relationshipsProteins and peptidesStructure and dynamics of materials
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Journal

Publications (13)

Sort by Publication Date:
|Nov 24, 2025
Environmental Contributions to Proton Sharing in Protein Low-Barrier Hydrogen Bonds.

Jiusheng Lin, Oksana Gerlits, Daniel W Kneller

|Aug 25, 2023
Biochemical characterization of mRNA capping enzyme from Faustovirus.

S Hong Chan, Christa N Molé, Dillon Nye

|Feb 22, 2023
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.

Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson

|Sep 08, 2022
Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.

Mikhail A Hameedi, Erica T Prates, Michael R Garvin

|Mar 31, 2022
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease.

Anna Pavlova, Diane L Lynch, Isabella Daidone

|Jan 28, 2022
Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor.

Daniel W Kneller, Oksana Gerlits, Luke L Daemen

Pageof 3

Frequent Collaborators

11 joint publications

Andrey Kovalevsky

9 joint publications

Leighton Coates

3 joint publications

Arvind Ramanathan

2 joint publications

James C Gumbart

2 joint publications

Gwyndalyn Phillips

2 joint publications

Neeraj Kumar

2 joint publications

Colleen B Jonsson

2 joint publications

Kevin L Weiss

1 joint publications

Johnson Agniswamy

1 joint publications

Robert W Harrison

Frequent Collaborators

11 joint publications

Andrey Kovalevsky

9 joint publications

Leighton Coates

3 joint publications

Arvind Ramanathan

2 joint publications

James C Gumbart

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