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3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs
by
Voitsitskyi, Taras
,
Stratiichuk, Roman
,
Koleiev, Ihor
,
Popryho, Leonid
,
Ostrovsky, Zakhar
,
Henitsoi, Pavlo
,
Khropachov, Ivan
,
Vozniak, Volodymyr
,
Zhytar, Roman
,
Nechepurenko, Diana
,
Yesylevskyy, Semen
,
Nafiiev, Alan
,
Starosyla, Serhii
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RSC advances
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Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets
by
Voitsitskyi, Taras
,
Bdzhola, Volodymyr
,
Stratiichuk, Roman
,
Koleiev, Ihor
,
Ostrovsky, Zakhar
,
Vozniak, Volodymyr
,
Khropachov, Ivan
,
Henitsoi, Pavlo
,
Popryho, Leonid
,
Zhytar, Roman
,
Yesylevskyy, Semen
,
Nafiiev, Alan
,
Starosyla, Serhii
Published in
RSC advances
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Chemistry
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Chemistry, Multidisciplinary
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Physical Sciences
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Proteins
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Science & Technology
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Affinity
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Binding
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Data Augmentation
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Deep Learning
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Differential Thermal Analysis
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Graph Neural Networks
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Graphical Representations
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Inference
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Machine Learning
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Molecular Docking
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Molecular Structure
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Training
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