Explicit factorization of external coordinates in constrained statistical mechanics models.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1748, doi. 10.1002/jcc.20499
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2006 AND VI 27 AND IP 14
Results: 13
1
2
Minimum sequence requirements for selective RNA-ligand binding: A molecular mechanics algorithm using molecular dynamics and free-energy techniques.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1631, doi. 10.1002/jcc.20459
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- Publication type:
- Article
3
Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the alanine dipeptide.
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- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1733, doi. 10.1002/jcc.20467
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- Article
4
Flooding in <MONO>GROMACS</MONO>: Accelerated barrier crossings in molecular dynamics.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1693, doi. 10.1002/jcc.20473
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- Publication type:
- Article
5
Variation of atomic charges on proton transfer in strong hydrogen bonds: The case of anionic and neutral imidazole–acetate complexes.
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- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1650, doi. 10.1002/jcc.20476
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- Publication type:
- Article
6
Accurate evaluation of the absorption maxima of retinal proteins based on a hybrid QM/MM method.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1623, doi. 10.1002/jcc.20432
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- Publication type:
- Article
7
Green's function study of the one-electron and shake-up ionization spectra of unsaturated hydrocarbon cage compounds.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1703, doi. 10.1002/jcc.20461
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- Publication type:
- Article
8
Ab initio QM/MM dynamics of H<sub>3</sub>O<sup>+</sup> in water.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1723, doi. 10.1002/jcc.20503
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- Publication type:
- Article
9
Computational study of the process of hydrogen bond breaking: The case of the formamide–formic acid complex.
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- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1641, doi. 10.1002/jcc.20475
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- Publication type:
- Article
10
Software news and updates carma: A molecular dynamics analysis program.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1765, doi. 10.1002/jcc.20482
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- Publication type:
- Article
11
Second derivatives in generalized Born theory.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1662, doi. 10.1002/jcc.20479
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- Publication type:
- Article
12
An algorithm for three-dimensional Voronoi S-network.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1676, doi. 10.1002/jcc.20484
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- Publication type:
- Article
13
Theoretical mechanistic study on the radical–molecule reactions of cyanomethylidyne with PH<sub>3</sub>, H<sub>2</sub>S, and HCl.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 14, p. 1756, doi. 10.1002/jcc.20487
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- Publication type:
- Article