Accurate prediction of protein–ligand interactions by combining physical energy functions and graph-neural networks
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- Extent
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1 Online-Ressource.
- Language
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Englisch
- Bibliographic citation
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Accurate prediction of protein–ligand interactions by combining physical energy functions and graph-neural networks ; volume:16 ; number:1 ; day:4 ; month:11 ; year:2024 ; pages:1-15 ; date:12.2024
Journal of cheminformatics ; 16, Heft 1 (4.11.2024), 1-15, 12.2024
- Creator
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Hong, Yiyu
Ha, Junsu
Sim, Jaemin
Lim, Chae Jo
Oh, Kwang-Seok
Chandrasekaran, Ramakrishnan
Kim, Bomin
Choi, Jieun
Ko, Junsu
Shin, Woong-Hee
Lee, Juyong
- Contributor
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SpringerLink (Online service)
- DOI
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10.1186/s13321-024-00912-2
- URN
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urn:nbn:de:101:1-2501222106239.711739049867
- Rights
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Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
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15.08.2025, 7:32 AM CEST
Data provider
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Associated
- Hong, Yiyu
- Ha, Junsu
- Sim, Jaemin
- Lim, Chae Jo
- Oh, Kwang-Seok
- Chandrasekaran, Ramakrishnan
- Kim, Bomin
- Choi, Jieun
- Ko, Junsu
- Shin, Woong-Hee
- Lee, Juyong
- SpringerLink (Online service)
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Protein-ligand interactions
Ligand 1 H NMR Chemical Shifts as Accurate Reporters for Protein‐Ligand Binding Interfaces in Solution **
Functional dynamics of protein-ligand interactions
DrugscoreMapsvisualizing similarities in protein-ligand interactions
A chemogenomics view on protein-ligand spaces
Mathematical modelling of multi-site protein-ligand interactions
The influence of protonation in protein-ligand docking
The influence of protonation in protein-ligand docking
Thermophoresis of electrolyte solutions and protein-ligand systems
Ensembling methods for protein-ligand binding affinity prediction
Water Networks Repopulate Protein–Ligand Interfaces with Temperature
Water Networks Repopulate Protein–Ligand Interfaces with Temperature
Protein-ligand interactions
Ligand 1 H NMR Chemical Shifts as Accurate Reporters for Protein‐Ligand Binding Interfaces in Solution **
Functional dynamics of protein-ligand interactions
DrugscoreMapsvisualizing similarities in protein-ligand interactions
A chemogenomics view on protein-ligand spaces
Mathematical modelling of multi-site protein-ligand interactions
The influence of protonation in protein-ligand docking
The influence of protonation in protein-ligand docking
Thermophoresis of electrolyte solutions and protein-ligand systems
Ensembling methods for protein-ligand binding affinity prediction
Water Networks Repopulate Protein–Ligand Interfaces with Temperature