Works matching IS 17590876 AND DT 2022 AND VI 12 AND IP 2
Results: 13
Cover Image, Volume 12, Issue 2.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1613
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- Article
CORRIGENDUM.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1596
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- Article
Machine learning in drug design: Use of artificial intelligence to explore the chemical structure–biological activity relationship.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1568
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Featurization strategies for protein–ligand interactions and their applications in scoring function development.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1567
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Range‐separated multiconfigurational density functional theory methods.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1566
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- Article
The role of metal ions in G protein‐coupled receptor signalling and drug discovery.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1565
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Learning molecular potentials with neural networks.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1564
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- Article
Issue Information.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1549
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- Article
Computational design of two‐dimensional magnetic materials.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1545
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Structure based virtual screening: Fast and slow.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1544
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Artificial intelligence advances for de novo molecular structure modeling in cryo‐electron microscopy.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1542
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- Article
Understanding flavin electronic structure and spectra.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1541
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- Article
The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 2, p. 1, doi. 10.1002/wcms.1546
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- Article