Cover Image, Volume 12, Issue 1.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1600
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- Article
Works matching IS 17590876 AND DT 2022 AND VI 12 AND IP 1
Results: 12
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Computational studies of protein–drug binding affinity changes upon mutations in the drug target.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1563
- Publication type:
- Article
3
Insight into the isomerization mechanism of retinal proteins from hybrid quantum mechanics/molecular mechanics simulations.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1562
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- Article
4
Restricted active space configuration interaction methods for strong correlation: Recent developments.
- Published in:
- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1561
- Publication type:
- Article
5
Quantitative predictions from molecular simulations using explicit or implicit interactions.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1560
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- Publication type:
- Article
6
Recent progress on multiscale modeling of electrochemistry.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1559
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- Article
7
Encoding the atomic structure for machine learning in materials science.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1558
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- Article
8
Quantum mechanical/molecular mechanical studies of photophysical properties of fluorescent proteins.
- Published in:
- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1557
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- Publication type:
- Article
9
Understanding familial Alzheimer's disease: The fit‐stay‐trim mechanism of γ‐secretase.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1556
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- Article
10
WebMO: Web‐based computational chemistry calculations in education and research.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1554
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- Article
11
Issue Information.
- Published in:
- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1548
- Publication type:
- Article
12
Dimensionality effects in high‐performance thermoelectric materials: Computational and experimental progress in energy harvesting applications.
- Published in:
- WIREs: Computational Molecular Science, 2022, v. 12, n. 1, p. 1, doi. 10.1002/wcms.1547
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- Publication type:
- Article