FSATOOL 2.0: An integrated molecular dynamics simulation and trajectory data analysis program.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 215, doi. 10.1002/jcc.26772
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 3
Results: 6
1
2
Next generation quantum theory of atoms in molecules for the design of emitters exhibiting thermally activated delayed fluorescence with laser irradiation.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 206, doi. 10.1002/jcc.26783
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- Publication type:
- Article
3
Thermostabilization mechanisms in thermophilic versus mesophilic three-helix bundle proteins.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 197, doi. 10.1002/jcc.26782
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- Publication type:
- Article
4
Strategies for the optimization of the structure of crystalline compounds.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 184, doi. 10.1002/jcc.26781
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- Publication type:
- Article
5
Improving ligand-ranking of AutoDock Vina by changing the empirical parameters.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 160, doi. 10.1002/jcc.26779
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- Publication type:
- Article
6
An inexpensive density functional theory-based protocol to predict accurate <sup>19</sup>F-NMR chemical shifts.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 170, doi. 10.1002/jcc.26780
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- Publication type:
- Article