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topic_facet:"X-ray structures"
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PubPharm (6)
1
Systematic identification of activity cliffs with dual-atom replacements and their rationalization on the basis of single-atom replacement analogs and X-ray structures
enthalten in:
Chemical biology & drug design
| 2022
von
Hu, H.
|
Bajorath, J.
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2
Systematic assessment of structure-promiscuity relationships between different types of kinase inhibitors
enthalten in:
Bioorganic & medicinal chemistry
| 2021
von
Hu, H.
|
Bajorath, J.
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3
Data set of competitive and allosteric protein kinase inhibitors confirmed by X-ray crystallography
enthalten in:
Data in brief
| 2021
von
Hu, H.
|
Laufkötter, O.
|
Miljković, F.
| +1
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4
Systematic comparison of competitive and allosteric kinase inhibitors reveals common structural characteristics
enthalten in:
European journal of medicinal chemistry
| 2021
von
Hu, H.
|
Laufkötter, O.
|
Miljković, F.
| +1
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5
Data set of activity cliffs with single-atom modification and associated X-ray structure information for medicinal and computational chemistry applications
enthalten in:
Data in brief
| 2020
von
Hu, H.
|
Bajorath, J.
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6
Activity cliffs produced by single-atom modification of active compounds : Systematic identification and rationalization based on X-ray structures
enthalten in:
European journal of medicinal chemistry
| 2020
von
Hu, H.
|
Bajorath, J.
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1
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Thema: X-ray structures
Medienart
6
Aufsätze
6
E-Artikel
6
E-Ressourcen
Zeitschriftentitel
2
Data in brief
2
European journal of medicinal chemistry
1
Bioorganic & medicinal chemistry
1
Chemical biology & drug design
Thema
6
Journal Article
X-ray structures
2
Activity cliffs
2
EC 2.7.-
2
Research Support, Non-U.S. Gov't
1
8L70Q75FXE
1
ATP competitive inhibitors
1
ATP-competitive inhibitors
1
Active compounds
1
Activity data analysis
1
Adenosine Triphosphate
1
Allosteric inhibitors
1
Allosteric mechanism of action
1
Bioactive compounds
1
Comparative Study
1
Core structures
1
Enzyme Inhibitors
1
High-confidence data
1
Human kinome
1
Kinase inhibitors
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2022
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2
2020
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