Molecular mechanics parameters for the FapydG DNA lesion.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 17, doi. 10.1002/jcc.20625
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2008 AND VI 29 AND IP 1
Results: 17
1
2
Structure and dynamics of phospholipid bilayers using recently developed general all-atom force fields.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 24, doi. 10.1002/jcc.20675
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- Publication type:
- Article
3
On the structure of the inverse kinematics map of a fragment of protein backbone.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 50, doi. 10.1002/jcc.20755
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- Publication type:
- Article
4
Ab initio calculations on π-stacked thiophene dimer, trimer, and tetramer: Structure, interaction energy, cooperative effects, and intermolecular electronic parameters.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 69, doi. 10.1002/jcc.20763
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- Publication type:
- Article
5
Stochastic simulation of physicochemical processes performance over supported metal nanoparticles.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 79, doi. 10.1002/jcc.20766
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- Publication type:
- Article
6
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 38, doi. 10.1002/jcc.20739
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- Publication type:
- Article
7
Reaction of hypochlorous acid with imidazole: Formation of 2-chloro- and 2-oxoimidazoles.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 98, doi. 10.1002/jcc.20768
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- Publication type:
- Article
8
Highly accurate biomolecular electrostatics in continuum dielectric environments.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 87, doi. 10.1002/jcc.20769
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- Publication type:
- Article
9
Shapelets: Possibilities and limitations of shape-based virtual screening.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 108, doi. 10.1002/jcc.20770
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- Publication type:
- Article
10
The Jahn-Teller effect of the Cr<sup>2+</sup> ion in aqueous solution: Ab initio QM/MM molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 115, doi. 10.1002/jcc.20771
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- Publication type:
- Article
11
New all-atom force field for molecular dynamics simulation of an AlPO<sub>4</sub>-34 molecular sieve.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 122, doi. 10.1002/jcc.20774
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- Publication type:
- Article
12
Electric field convergence versus atomic basis sets in all-siliceous zeolites.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 130, doi. 10.1002/jcc.20775
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- Publication type:
- Article
13
Improving the efficiency of the NEB reaction path finding algorithm.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 139, doi. 10.1002/jcc.20780
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- Publication type:
- Article
14
Manager–worker-based model for the parallelization of quantum Monte Carlo on heterogeneous and homogeneous networks.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 8, doi. 10.1002/jcc.20836
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- Publication type:
- Article
15
Complete maps of molecular-loop conformational spaces.
- Published in:
- 2008
- By:
- Publication type:
- Erratum
16
Comment on “Aromatic-Backbone Interactions in Model α-Helical Peptides” [Palermo et al., J Comput Chem 2007, 28, 1208].
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 1, doi. 10.1002/jcc.20869
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- Publication type:
- Article
17
Reply to “Comment on Aromatic-Backbone Interactions in Model α-Helical Peptides”.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 1, p. 4, doi. 10.1002/jcc.20868
- By:
- Publication type:
- Article