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Shoichet, Brian K.
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1

AlphaFold2 structures guide prospective ligand discovery:

Lyu, Jiankun ; Kapolka, Nicholas ; Gumpper, Ryan...
Science.  384 (2024)  6702 - p. , 2024
Link: https://doi.org/10.1126/..
 
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2

Discovery of Protease-Activated Receptor 4 (PAR4)-Tethered ..:

Smith, Shannon T. ; Cassada, Jackson B. ; Von Bredow, Lukas...
ACS Pharmacology & Translational Science.  7 (2024)  4 - p. 1086-1100 , 2024
Link: https://doi.org/10.1021/..
 
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3

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/..
 
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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/..
 
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5

Profiling the proximal proteome of the activated μ-opioid r..:

Polacco, Benjamin J. ; Lobingier, Braden T. ; Blythe, Emily E....
Nature Chemical Biology.  , 2024
Link: https://doi.org/10.1038/..
 
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6

Colloidal Aggregation Confounds Cell-Based Covid-19 Antivir..:

Glenn, Isabella S. ; Hall, Lauren N. ; Khalid, Mir M...
Journal of Medicinal Chemistry.  67 (2024)  12 - p. 10263-10274 , 2024
Link: https://doi.org/10.1021/..
 
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7

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/..
 
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8

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/..
 
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9

Synthetic Ionizable Colloidal Drug Aggregates Enable Endoso..:

Donders, Eric N. ; Slaughter, Kai V. ; Dank, Christian...
Advanced Science.  10 (2023)  13 - p. , 2023
Link: https://doi.org/10.1002/..
 
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10

Fluorogenic reporter enables identification of compounds th..:

Yang, Junjiao ; Xiao, Yinghong ; Lidsky, Peter V....
Nature Microbiology.  8 (2023)  1 - p. 121-134 , 2023
Link: https://doi.org/10.1038/..
 
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11

Large library docking for novel SARS‐CoV‐2 main protease no..:

Fink, Elissa A. ; Bardine, Conner ; Gahbauer, Stefan...
Protein Science.  32 (2023)  8 - p. , 2023
Link: https://doi.org/10.1002/..
 
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12

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/..
 
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13

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/..
 
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14

Preparing for the next pandemic:

Shoichet, Brian K. ; Craik, Charles S.
Science.  382 (2023)  6671 - p. 649-650 , 2023
Link: https://doi.org/10.1126/..
 
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15

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/..
 
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