PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
- 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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PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications ; volume:11 ; number:1 ; day:9 ; month:2 ; year:2024 ; pages:1-9 ; date:12.2024
Scientific data ; 11, Heft 1 (9.2.2024), 1-9, 12.2024
- Classification
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Sozialwissenschaften, Soziologie, Anthropologie
- Creator
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Korlepara, Divya B.
C. S., Vasavi
Srivastava, Rakesh
Pal, Pradeep Kumar
Raza, Saalim H.
Kumar, Vishal
Pandit, Shivam
Nair, Aathira G.
Pandey, Sanjana
Sharma, Shubham
Jeurkar, Shruti
Thakran, Kavita
Jaglan, Reena
Verma, Shivangi
Ramachandran, Indhu
Chatterjee, Prathit
Nayar, Divya
Priyakumar, U. Deva
- Contributor
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SpringerLink (Online service)
- DOI
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10.1038/s41597-023-02872-y
- URN
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urn:nbn:de:101:1-2404180708357.968100852217
- Rights
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Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
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14.08.2025, 10:48 AM CEST
Data provider
This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Korlepara, Divya B.
- C. S., Vasavi
- Srivastava, Rakesh
- Pal, Pradeep Kumar
- Raza, Saalim H.
- Kumar, Vishal
- Pandit, Shivam
- Nair, Aathira G.
- Pandey, Sanjana
- Sharma, Shubham
- Jeurkar, Shruti
- Thakran, Kavita
- Jaglan, Reena
- Verma, Shivangi
- Ramachandran, Indhu
- Chatterjee, Prathit
- Nayar, Divya
- Priyakumar, U. Deva
- SpringerLink (Online service)
Other Objects (12)
PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
Author Correction: PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
Prediction and optimisation of protein-ligand affinities by integral equation theory
Protein-ligand interactions
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery
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
Thermophoresis of electrolyte solutions and protein-ligand systems
PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
Author Correction: PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
Prediction and optimisation of protein-ligand affinities by integral equation theory
Protein-ligand interactions
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery
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
Thermophoresis of electrolyte solutions and protein-ligand systems
PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
Author Correction: PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
Prediction and optimisation of protein-ligand affinities by integral equation theory
Protein-ligand interactions
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactions
MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery
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