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Deganutti, Giuseppe
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1

Computational Insights into the Conformational Dynamics of ..:

Majumder, Satyabrata ; Deganutti, Giuseppe ; Pipitò, Ludovico...
Journal of Chemical Information and Modeling.  64 (2024)  8 - p. 3360-3374 , 2024
Link: https://doi.org/10.1021/..
 
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2

The circularly permuted globin domain of androglobin exhibi..:

Reeder, Brandon J. ; Deganutti, Giuseppe ; Ukeri, John...
Chemical Science.  15 (2024)  18 - p. 6738-6751 , 2024
Link: https://doi.org/10.1039/..
 
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3

Structural dynamics of therapeutic nucleic acids with phosp..:

Carlesso, Antonio ; Hörberg, Johanna ; Deganutti, Giuseppe..
NAR Genomics and Bioinformatics.  6 (2024)  2 - p. , 2024
Link: https://doi.org/10.1093/..
 
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4

Computer-aided de novo design and optimization of novel pot..:

Majumder, Satyabrata ; Deganutti, Giuseppe ; Pipitò, Ludovico...
Computational Biology and Chemistry.  104 (2023)  - p. 107871 , 2023
Link: https://doi.org/10.1016/..
 
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5

Targeting hPKM2 in cancer: A bio isosteric approach for lig..:

Pipitò, Ludovico ; Illingworth, Thomas Arron ; Deganutti, Giuseppe
Computers in Biology and Medicine.  158 (2023)  - p. 106852 , 2023
Link: https://doi.org/10.1016/..
 
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6

A Pathway Model to Understand the Evolution of Spike Protei..:

Pipitò, Ludovico ; Reynolds, Christopher A. ; Mobarec, Juan Carlos..
Biomolecules.  12 (2022)  11 - p. 1607 , 2022
Link: https://doi.org/10.3390/..
 
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7

Understanding VPAC receptor family peptide binding and sele..:

Piper, Sarah J. ; Deganutti, Giuseppe ; Lu, Jessica...
Nature Communications.  13 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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8

Molecular dynamics studies reveal structural and functional..:

Pipitò, Ludovico ; Rujan, Roxana‐Maria ; Reynolds, Christopher A..
BioEssays.  44 (2022)  9 - p. , 2022
Link: https://doi.org/10.1002/..
 
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9

Discovery and Structure–Activity Relationship Studies of No..:

Preti, Barbara ; Suchankova, Anna ; Deganutti, Giuseppe...
Journal of Medicinal Chemistry.  65 (2022)  21 - p. 14864-14890 , 2022
Link: https://doi.org/10.1021/..
 
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10

Is the Stalk of the SARS-CoV-2 Spike Protein Druggable?:

Pipitò, Ludovico ; Reynolds, Christopher A. ; Deganutti, Giuseppe
Viruses.  14 (2022)  12 - p. 2789 , 2022
Link: https://doi.org/10.3390/..
 
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11

Selective activation of Gαob by an adenosine A1 receptor ag..:

Wall, Mark J. ; Hill, Emily ; Huckstepp, Robert...
Nature Communications.  13 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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12

Dynamics of GLP-1R peptide agonist engagement are correlate..:

Deganutti, Giuseppe ; Liang, Yi-Lynn ; Zhang, Xin...
Nature Communications.  13 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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13

Structural and functional diversity among agonist-bound sta..:

Cary, Brian P. ; Deganutti, Giuseppe ; Zhao, Peishen...
Nature Chemical Biology.  18 (2021)  3 - p. 256-263 , 2021
Link: https://doi.org/10.1038/..
 
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14

Deciphering the Agonist Binding Mechanism to the Adenosine ..:

Deganutti, Giuseppe ; Barkan, Kerry ; Preti, Barbara...
ACS Pharmacology & Translational Science.  4 (2021)  1 - p. 314-326 , 2021
Link: https://doi.org/10.1021/..
 
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15

Multisite Model of Allosterism for the Adenosine A1 Recepto:

Deganutti, Giuseppe ; Barkan, Kerry ; Ladds, Graham.
Journal of Chemical Information and Modeling.  61 (2021)  4 - p. 2001-2015 , 2021
Link: https://doi.org/10.1021/..
 
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