E-LIB Suche - Ergebnisse für: Kneller, Daniel W

1

AI-Accelerated Design of Targeted Covalent Inhibitors for S..:

Joshi, Rajendra P. ; Schultz, Katherine J. ; Wilson, Jesse William...
Journal of Chemical Information and Modeling. 63 (2023) 5 - p. 1438-1453 , 2023

Link: https://doi.org/10.1021/..

2

Insights into the mechanism of SARS-CoV-2 main protease aut..:

Aniana, Annie ; Nashed, Nashaat T. ; Ghirlando, Rodolfo...
Communications Biology. 6 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

3

A novel family of sugar-specific phosphodiesterases that re..:

Fossa, Samantha L. ; Anton, Brian P. ; Kneller, Daniel W....
Journal of Biological Chemistry. 299 (2023) 12 - p. 105437 , 2023

Link: https://doi.org/10.1016/..

4

Unmasking the Conformational Stability and Inhibitor Bindin..:

Kovalevsky, Andrey ; Coates, Leighton ; Kneller, Daniel W....
Journal of Molecular Biology. 434 (2022) 24 - p. 167876 , 2022

Link: https://doi.org/10.1016/..

5

Structural and functional characterization of NEMO cleavage..:

Hameedi, Mikhail A. ; T. Prates, Erica ; Garvin, Michael R....
Nature Communications. 13 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

6

Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inh..:

Glaser, Jens ; Sedova, Ada ; Galanie, Stephanie...
ACS Pharmacology & Translational Science. 5 (2022) 4 - p. 255-265 , 2022

Link: https://doi.org/10.1021/..

7

Joint neutron/molecular dynamics vibrational spectroscopy r..:

Kneller, Daniel W. ; Gerlits, Oksana ; Daemen, Luke L....
Physical Chemistry Chemical Physics. 24 (2022) 6 - p. 3586-3597 , 2022

Link: https://doi.org/10.1039/..

8

Covalent narlaprevir- and boceprevir-derived hybrid inhibit..:

Kneller, Daniel W. ; Li, Hui ; Phillips, Gwyndalyn...
Nature Communications. 13 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

9

Autoprocessing and oxyanion loop reorganization upon GC373 ..:

Nashed, Nashaat T. ; Kneller, Daniel W. ; Coates, Leighton...
Communications Biology. 5 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

10

HIV-1 protease with 10 lopinavir and darunavir resistance m..:

Wong-Sam, Andres ; Wang, Yuan-Fang ; Kneller, Daniel W....
Journal of Molecular Graphics and Modelling. 117 (2022) - p. 108315 , 2022

Link: https://doi.org/10.1016/..

11

Direct Observation of Protonation State Modulation in SARS-..:

Kneller, Daniel W. ; Phillips, Gwyndalyn ; Weiss, Kevin L....
Journal of Medicinal Chemistry. 64 (2021) 8 - p. 4991-5000 , 2021

Link: https://doi.org/10.1021/..

12

Structural, Electronic, and Electrostatic Determinants for ..:

Kneller, Daniel W. ; Li, Hui ; Galanie, Stephanie...
Journal of Medicinal Chemistry. 64 (2021) 23 - p. 17366-17383 , 2021

Link: https://doi.org/10.1021/..

13

Michaelis-like complex of SARS-CoV-2 main protease visualiz..:

Kneller, Daniel W. ; Zhang, Qiu ; Coates, Leighton..
IUCrJ. 8 (2021) 6 - p. 973-979 , 2021

Link: https://doi.org/10.1107/..

14

Novel HIV PR inhibitors with C4-substituted bis-THF and bis..:

Agniswamy, Johnson ; Kneller, Daniel W. ; Ghosh, Arun K..
Biochemical and Biophysical Research Communications. 566 (2021) - p. 30-35 , 2021

Link: https://doi.org/10.1016/..

15

High-Throughput Virtual Screening and Validation of a SARS-..:

Clyde, Austin ; Galanie, Stephanie ; Kneller, Daniel W....
Journal of Chemical Information and Modeling. 62 (2021) 1 - p. 116-128 , 2021

Link: https://doi.org/10.1021/..