Concepedia

Daniel W. Kneller

DW

26

Publications

1.7K

Citations

19

H-Index

1984

Active since

Affiliations

Oak Ridge National Laboratory(Current)

Target (United States)

Argonne National Laboratory

National Institutes of Health

National Energy Technology Laboratory

Daniel W. Kneller is an author at Oak Ridge National Laboratory specializing in molecular biology, medicine, and molecular docking.

ORCID

Top concepts

Publications per year

1984–2023

26

Publications

26

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

Daniel W. Kneller, G.N. Phillips, Hugh O’Neill et al. · Nature Communications · 2020 · 479 citations · Full text

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

Atanu Acharya, Rupesh Agarwal, Matthew Baker et al. · Journal of Chemical Information and Modeling · 2020 · 185 citations · Full text

, , +19

Unusual zwitterionic catalytic site of SARS–CoV-2 main protease revealed by neutron crystallography

Daniel W. Kneller, G.N. Phillips, Kevin L. Weiss et al. · Journal of Biological Chemistry · 2020 · 131 citations · Full text

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

Daniel W. Kneller, Hui Li, G.N. Phillips et al. · Nature Communications · 2022 · 119 citations · Full text

High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor

Austin Clyde, Stephanie Galanie, Daniel W. Kneller et al. · Journal of Chemical Information and Modeling · 2021 · 105 citations · Full text

Rows per page

1–5 of 26