ppdx: Automated modeling of protein–protein interaction descriptors for use with machine learning.
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- Journal of Computational Chemistry, 2022, v. 43, n. 25, p. 1747, doi. 10.1002/jcc.26974
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 25
Results: 7
1
2
Stabilization of Zn group dimers: A theoretical study.
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- Journal of Computational Chemistry, 2022, v. 43, n. 25, p. 1719, doi. 10.1002/jcc.26972
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- Publication type:
- Article
3
CO bonding in hexa‐ and pentacoordinate carboxy‐neuroglobin: A quantum mechanics/molecular mechanics and local vibrational mode study.
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- Journal of Computational Chemistry, 2022, v. 43, n. 25, p. 1725, doi. 10.1002/jcc.26973
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- Publication type:
- Article
4
Nonlinear optical properties DFT calculations of polyacethylene and copolymers models substituted with aldimines chromophores as side chains.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 25, p. 1701, doi. 10.1002/jcc.26971
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- Publication type:
- Article
5
Automatic generation of complementary auxiliary basis sets for explicitly correlated methods.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 25, p. 1690, doi. 10.1002/jcc.26970
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- Publication type:
- Article
6
The numerical evaluation of Slater integrals on graphics processing units.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 25, p. 1680, doi. 10.1002/jcc.26968
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 25, p. 1675, doi. 10.1002/jcc.26659
- Publication type:
- Article