Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 17
Results: 9
New force field parameters for metalloproteins I: Divalent copper ion centers including three histidine residues and an oxygen-ligated amino acid residue.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 17, p. 1278, doi. 10.1002/jcc.23622
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- Publication type:
- Article
Cover Image, Volume 35, Issue 17.
- Published in:
- 2014
- Publication type:
- Other
The READY program: Building a global potential energy surface and reactive dynamic simulations for the hydrogen combustion.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 17, p. 1330, doi. 10.1002/jcc.23621
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- Publication type:
- Article
Cover Image, Volume 35, Issue 17.
- Published in:
- 2014
- Publication type:
- Other
Analyzing the electric response of molecular conductors using 'electron deformation' orbitals and occupied-virtual electron transfer.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 17, p. 1261, doi. 10.1002/jcc.23595
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- Publication type:
- Article
Moving of fullerene between potential wells in the external icosahedral shell.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 17, p. 1270, doi. 10.1002/jcc.23620
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- Publication type:
- Article
Efficient 3D kinetic monte carlo method for modeling of molecular structure and dynamics.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 17, p. 1317, doi. 10.1002/jcc.23613
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- Publication type:
- Article
Ab initio path-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation models.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 17, p. 1302, doi. 10.1002/jcc.23628
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- Publication type:
- Article
Interaction of aromatic units of amino acids with guanidinium cation: The interplay of π···π, XH···π, and M<sup>+</sup>···π contacts.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 17, p. 1290, doi. 10.1002/jcc.23623
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- Publication type:
- Article