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Keyword
- in silico drug design, Drug design, Drug discovery, Drug screening, pharmacophore, chemical biology, QSAR, Molecular docking, molecular modelling, PDBe, PDBe-KB, ChEMBL, De novo, deep learning, cheminformatics, AlphaFold, Quantum mechanics/molecular mechanics1
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Author
- Aleksandra Ivanova1
- Alžběta Tuerková1
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- Guzel Minibaeva1
- Johannes Kirchmair1
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Contributor
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- Vaclav Bazgier1
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