E-LIB Suche - Ergebnisse für: Irwin, John

1

Docking for Molecules That Bind in a Symmetric Stack with S..:

Smith, Matthew S. ; Knight, Ian S. ; Kormos, Rian C....
Journal of Chemical Information and Modeling. 64 (2024) 2 - p. 425-434 , 2024

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

2

DockOpt: A Tool for Automatic Optimization of Docking Model:

Knight, Ian S. ; Mailhot, Olivier ; Tang, Khanh G..
Journal of Chemical Information and Modeling. 64 (2024) 3 - p. 1004-1016 , 2024

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

3

AlphaFold2 structures guide prospective ligand discovery:

Lyu, Jiankun ; Kapolka, Nicholas ; Gumpper, Ryan...
Science. 384 (2024) 6702 - p. , 2024

Link: https://doi.org/10.1126/..

4

Docking for molecules that bind in a symmetric stack to Alz..:

Smith, Matthew S. ; Kunach, Peter ; Knight, Ian S....
Biophysical Journal. 123 (2024) 3 - p. 298a , 2024

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

5

Structure-based discovery of CFTR potentiators and inhibito..:

Liu, Fangyu ; Kaplan, Anat Levit ; Levring, Jesper...
Cell. 187 (2024) 14 - p. 3712-3725.e34 , 2024

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

6

The Pan-Canadian Chemical Library: A Mechanism to Open Acad..:

Bedart, Corentin ; Shimokura, Grace ; West, Frederick G....
Scientific Data. 11 (2024) 1 - p. , 2024

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

7

Structure-Based Discovery of Inhibitors of the SARS-CoV-2 N..:

Singh, Isha ; Li, Fengling ; Fink, Elissa A....
Journal of Medicinal Chemistry. 66 (2023) 12 - p. 7785-7803 , 2023

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

8

Modeling the expansion of virtual screening libraries:

Lyu, Jiankun ; Irwin, John J. ; Shoichet, Brian K.
Nature Chemical Biology. , 2023

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

9

ZINC-22─A Free Multi-Billion-Scale Database of Tangible Com..:

Tingle, Benjamin I. ; Tang, Khanh G. ; Castanon, Mar...
Journal of Chemical Information and Modeling. 63 (2023) 4 - p. 1166-1176 , 2023

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

10

Review of Partial Hybrids between Herbaceous Medicago sativ..:

Irwin, John ; Bingham, Edwin
Applied Biosciences. 2 (2023) 3 - p. 373-383 , 2023

Link: https://doi.org/10.3390/..

11

Structure-based discovery of conformationally selective inh..:

Singh, Isha ; Seth, Anubha ; Billesbølle, Christian B....
Cell. 186 (2023) 10 - p. 2160-2175.e17 , 2023

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

12

Large-Scale Docking in the Cloud:

Tingle, Benjamin I. ; Irwin, John J.
Journal of Chemical Information and Modeling. 63 (2023) 9 - p. 2735-2741 , 2023

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

13

Iterative computational design and crystallographic screeni..:

Gahbauer, Stefan ; Correy, Galen J. ; Schuller, Marion...
Proceedings of the National Academy of Sciences. 120 (2023) 2 - p. , 2023

Link: https://doi.org/10.1073/..

14

The Hybridization Barrier between Herbaceous Medicago sativ..:

Bingham, Edwin ; Irwin, John
Plants. 12 (2023) 4 - p. 962 , 2023

Link: https://doi.org/10.3390/..

15

Docking for EP4R antagonists active against inflammatory pa..:

Gahbauer, Stefan ; DeLeon, Chelsea ; Braz, Joao M....
Nature Communications. 14 (2023) 1 - p. , 2023

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