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