Cover Image, Volume 36, Issue 25.
- Published in:
- 2015
- Publication type:
- Other
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 25
Results: 8
1
2
Understanding the basis of I50V-induced affinity decrease in HIV-1 protease via molecular dynamics simulations using polarized force field.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 25, p. 1885, doi. 10.1002/jcc.24020
- By:
- Publication type:
- Article
3
A new QM/MM method oriented to the study of ionic liquids.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 25, p. 1893, doi. 10.1002/jcc.24023
- By:
- Publication type:
- Article
4
An enhanced Monte Carlo outlier detection method.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 25, p. 1902, doi. 10.1002/jcc.24026
- By:
- Publication type:
- Article
5
A topological assessment of the electronic structure of mesoionic compounds.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 25, p. 1907, doi. 10.1002/jcc.24027
- By:
- Publication type:
- Article
6
Van der Waals Effects on semiconductor clusters.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 25, p. 1919, doi. 10.1002/jcc.24028
- By:
- Publication type:
- Article
7
Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F . tularensis enoyl- ACP reductase ( FabI).
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 25, p. 1859, doi. 10.1002/jcc.24011
- By:
- Publication type:
- Article
8
Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 25, p. 1874, doi. 10.1002/jcc.24012
- By:
- Publication type:
- Article