Found: 9
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Including ligand-induced protein flexibility into protein tunnel prediction.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 24, p. 1748, doi. 10.1002/jcc.23680
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- Publication type:
- Article
DFT assessment of the spectroscopic constants and absorption spectra of neutral and charged diatomic species of group 11 and 14 elements.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 24, p. 1762, doi. 10.1002/jcc.23684
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- Publication type:
- Article
PCASSO: A fast and efficient Cα-based method for accurately assigning protein secondary structure elements.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 24, p. 1757, doi. 10.1002/jcc.23683
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- Publication type:
- Article
Cover Image, Volume 35, Issue 24.
- Published in:
- 2014
- Publication type:
- Other
Cover Image, Volume 35, Issue 24.
- Published in:
- 2014
- Publication type:
- Other
Benchmarking dispersion and geometrical counterpoise corrections for cost-effective large-scale DFT calculations of water adsorption on graphene.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 24, p. 1789, doi. 10.1002/jcc.23686
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- Publication type:
- Article
Molecular dynamics simulations of ion solvation by flexible-boundary QM/MM: On-the-fly partial charge transfer between QM and MM subsystems.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 24, p. 1778, doi. 10.1002/jcc.23685
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- Publication type:
- Article
Red and blue shifted hydridic bonds.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 24, p. 1739, doi. 10.1002/jcc.23678
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- Publication type:
- Article
CAST: A new program package for the accurate characterization of large and flexible molecular systems.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 24, p. 1801, doi. 10.1002/jcc.23687
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- Publication type:
- Article