A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 18, p. 1634, doi. 10.1002/jcc.27114
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 18
Results: 5
1
2
Dative quadruple bonds between d<sup>10</sup> transition metals and beryllium in BeM(PMe<sub>3</sub>)<sub>2</sub> and BeM(CO)<sub>2</sub> (M = Ni, Pd, and Pt) complexes: Transition metal fragments as six-electron donor and two-electron acceptor.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 18, p. 1645, doi. 10.1002/jcc.27115
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- Publication type:
- Article
3
Origin of the kinetic HDAC2-selectivity of an HDAC inhibitor.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 18, p. 1604, doi. 10.1002/jcc.27111
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- Publication type:
- Article
4
NIAS-Server 2.0: A versatile complementary tool for structural biology studies.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 18, p. 1610, doi. 10.1002/jcc.27112
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- Publication type:
- Article
5
Alanine boronic acid functionalized UiO-66 MOF as a nanoreactor for the conversion of CO<sub>2</sub> into formic acid.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 18, p. 1624, doi. 10.1002/jcc.27113
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- Publication type:
- Article