Parallel-ProBiS: Fast parallel algorithm for local structural comparison of protein structures and binding sites.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2199, doi. 10.1002/jcc.23048
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 27
Results: 12
1
2
M OV IP AC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2186, doi. 10.1002/jcc.23036
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- Publication type:
- Article
3
Evaluation of protein-ligand binding free energy focused on its entropic components [J. Comp. Chem. 33, 550-560].
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2210, doi. 10.1002/jcc.23084
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- Publication type:
- Article
4
Efficient compression of molecular dynamics trajectory files.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2131, doi. 10.1002/jcc.23050
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- Publication type:
- Article
5
Approximate expressions and the relationship between pyramidalization (out-of-plane deformation) characteristics of trigonal centers.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2173, doi. 10.1002/jcc.23053
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- Publication type:
- Article
6
Cover Image, Volume 33, Issue 27.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. i, doi. 10.1002/jcc.23132
- Publication type:
- Article
7
XO: An extended ONIOM method for accurate and efficient modeling of large systems.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2142, doi. 10.1002/jcc.23051
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- Publication type:
- Article
8
Erratum: Symmetrization of the AMBER and CHARMM force fields [J. Comp. Chem. 31, 1402].
- Published in:
- 2012
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- Publication type:
- Erratum
9
Expedited analysis of DFT outputs: Introducing moanalyzer.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2180, doi. 10.1002/jcc.23028
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- Publication type:
- Article
10
Inside Cover, Volume 33, Issue 27.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. iii, doi. 10.1002/jcc.23133
- Publication type:
- Article
11
DNA base stacking: The stacked uracil/uracil and thymine/thymine minima.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2161, doi. 10.1002/jcc.23052
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- Publication type:
- Article
12
OBGMX: A web-based generator of GROMACS topologies for molecular and periodic systems using the universal force field.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2204, doi. 10.1002/jcc.23049
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- Publication type:
- Article