Bonding charge density from atomic perturbations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 13, p. 1008, doi. 10.1002/jcc.23880
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 13
Results: 9
1
2
Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg<sup>2+</sup> ion models commonly used in biomolecular simulations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 13, p. 970, doi. 10.1002/jcc.23881
- By:
- Publication type:
- Article
3
Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 13, p. 983, doi. 10.1002/jcc.23883
- By:
- Publication type:
- Article
4
Cover Image, Volume 36, Issue 13.
- Published in:
- 2015
- Publication type:
- Other
5
Cover Image, Volume 36, Issue 13.
- Published in:
- 2015
- Publication type:
- Other
6
A coarse-grained MARTINI-like force field for DNA unzipping in nanopores.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 13, p. 947, doi. 10.1002/jcc.23874
- By:
- Publication type:
- Article
7
Symmetry classification of electron and phonon states in TiO<sub>2</sub>-based nanowires and nanotubes.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 13, p. 957, doi. 10.1002/jcc.23875
- By:
- Publication type:
- Article
8
QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 13, p. 1015, doi. 10.1002/jcc.23877
- By:
- Publication type:
- Article
9
New ways to boost molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 13, p. 996, doi. 10.1002/jcc.23899
- By:
- Publication type:
- Article