Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 18
Results: 6
Expanding molecular modeling and design tools to non-natural sidechains.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 18, p. 1525, doi. 10.1002/jcc.22982
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- Article
Comparison of the electronic structure of different perylene-based dye-aggregates.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 18, p. 1544, doi. 10.1002/jcc.22986
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- Article
Placevent: An algorithm for prediction of explicit solvent atom distribution-Application to HIV-1 protease and F-ATP synthase.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 18, p. 1536, doi. 10.1002/jcc.22984
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- Article
First-principles calculations on thermodynamic properties of BaTiO<sub>3</sub> rhombohedral phase.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 18, p. 1554, doi. 10.1002/jcc.22988
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- Article
GPU accelerated numerical simulations of viscoelastic phase separation model.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 18, p. 1564, doi. 10.1002/jcc.22990
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- Article
ERKALE-A flexible program package for X-ray properties of atoms and molecules.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 18, p. 1572, doi. 10.1002/jcc.22987
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- Article