Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 20
Results: 6
Towards a transferable nonelectrostatic model for continuum solvation: The electrostatic and nonelectrostatic energy correction model.
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- Journal of Computational Chemistry, 2022, v. 43, n. 20, p. 1372, doi. 10.1002/jcc.26944
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- Article
Protein–ligand binding affinity prediction of cyclin‐dependent kinase‐2 inhibitors by dynamically averaged fragment molecular orbital‐based interaction energy.
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- Journal of Computational Chemistry, 2022, v. 43, n. 20, p. 1362, doi. 10.1002/jcc.26940
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- Article
Computational protocol for predicting <sup>19</sup>F NMR chemical shifts for PFAS and connection to PFAS structure.
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- Journal of Computational Chemistry, 2022, v. 43, n. 20, p. 1355, doi. 10.1002/jcc.26939
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- Article
Theoretical exploration of the reactivity of cellulose models under non‐thermal plasma conditions—mechanistic and NBO studies.
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- Journal of Computational Chemistry, 2022, v. 43, n. 20, p. 1334, doi. 10.1002/jcc.26934
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 20, p. 1329, doi. 10.1002/jcc.26639
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- Article
Sparse group selection and analysis of function‐related residue for protein‐state recognition.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 20, p. 1342, doi. 10.1002/jcc.26937
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- Article