Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 18
Results: 6
Accelerating the 3D reference interaction site model theory of molecular solvation with treecode summation and cut‐offs.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 18, p. 1251, doi. 10.1002/jcc.26889
- By:
- Publication type:
- Article
Mechanistic insights of key host proteins and potential repurposed inhibitors regulating SARS‐CoV‐2 pathway.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 18, p. 1237, doi. 10.1002/jcc.26888
- By:
- Publication type:
- Article
Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 18, p. 1229, doi. 10.1002/jcc.26887
- By:
- Publication type:
- Article
Mechanistic aspects of the synthesis of seven‐membered internal nitronates via stepwise [4 + 3] cycloaddition involving conjugated nitroalkenes: Molecular Electron Density Theory computational study.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 18, p. 1221, doi. 10.1002/jcc.26885
- By:
- Publication type:
- Article
The physical nature of the ultrashort spike–ring interaction in iron maiden molecules.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 18, p. 1206, doi. 10.1002/jcc.26879
- Publication type:
- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 18, p. 1201, doi. 10.1002/jcc.26631
- Publication type:
- Article