polyGraft 1.0: A program for molecular structure and topology generation of polymer‐grafted hybrid nanostructures.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 28, p. 2230, doi. 10.1002/jcc.27206
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 28
Results: 6
1
2
PASSerRank: Prediction of allosteric sites with learning to rank.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 28, p. 2223, doi. 10.1002/jcc.27193
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- Publication type:
- Article
3
Reactions of a hydrogen atom with haloacetates in aqueous solutions: Computational evidence for proton‐coupled electron transfer and competing mechanisms.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 28, p. 2212, doi. 10.1002/jcc.27191
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- Publication type:
- Article
4
Open shell versus closed shell bonding interaction in cyclopropane derivatives: EDA‐NOCV analyses.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 28, p. 2184, doi. 10.1002/jcc.27190
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- Publication type:
- Article
5
An interoperable implementation of collective‐variable based enhanced sampling methods in extended phase space within the OpenMM package.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 28, p. 2166, doi. 10.1002/jcc.27182
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- Publication type:
- Article
6
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 28, p. 2161, doi. 10.1002/jcc.26922
- Publication type:
- Article