Best bang for your buck: GPU nodes for GROMACS biomolecular simulations.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 1990, doi. 10.1002/jcc.24030
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2015 AND VI 36 AND IP 26
Results: 10
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Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 1929, doi. 10.1002/jcc.24032
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- Publication type:
- Article
3
Electron density analysis of large (molecular and periodic) systems: A parallel implementation.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 1940, doi. 10.1002/jcc.24033
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- Publication type:
- Article
4
Computational assessment of electron density in metallo-organic nickel pincer complexes for formation of PC bonds.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 1947, doi. 10.1002/jcc.24034
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- Publication type:
- Article
5
Erratum: 'A solvation-free-energy functional: A reference-modified density functional formulation' [J. Comput. Chem. 2015, 36, 1359-1369].
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 2009, doi. 10.1002/jcc.24035
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- Publication type:
- Article
6
Relativistic state-specific multireference perturbation theory incorporating improved virtual orbitals: Application to the ground state single-bond dissociation.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 1954, doi. 10.1002/jcc.24037
- By:
- Publication type:
- Article
7
AquaBridge: A novel method for systematic search of structural water molecules within the protein active sites.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 1973, doi. 10.1002/jcc.24022
- By:
- Publication type:
- Article
8
New QM/MM implementation of the DFTB3 method in the gromacs package.
- Published in:
- Journal of Computational Chemistry, 2015, v. 36, n. 26, p. 1978, doi. 10.1002/jcc.24029
- By:
- Publication type:
- Article
9
Cover Image, Volume 36, Issue 26.
- Published in:
- 2015
- Publication type:
- Other
10
Cover Image, Volume 36, Issue 26.
- Published in:
- 2015
- Publication type:
- Other