Front Cover.
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- Journal of Computational Chemistry, 2024, v. 45, n. 1, p. C1, doi. 10.1002/jcc.27255
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- Article
Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 1
Results: 7
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DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large‐scale docking.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 1, p. 47, doi. 10.1002/jcc.27218
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- Publication type:
- Article
3
Applying the bioisosterism strategy to obtain lead compounds against SARS‐CoV‐2 cysteine proteases: An in‐silico approach.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 1, p. 35, doi. 10.1002/jcc.27217
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- Publication type:
- Article
4
Comprehensive investigation of electronic structure, phonon spectrum and thermoelectric performance of LuMSb (M = Ni, Pd, Pt) half Heusler compounds from first principles.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 1, p. 25, doi. 10.1002/jcc.27216
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- Publication type:
- Article
5
Discovering targeted inhibitors for Escherichia coli efflux pump fusion proteins using computational and structure‐guided approaches.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 1, p. 13, doi. 10.1002/jcc.27215
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- Publication type:
- Article
6
On the aromaticity and stability of benzynes in the ground and lowest‐lying triplet excited states.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 1, p. 6, doi. 10.1002/jcc.27214
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 1, p. 1, doi. 10.1002/jcc.27134
- Publication type:
- Article