ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 673, doi. 10.1002/jcc.21005
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2009 AND VI 30 AND IP 5
Results: 15
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Role of the variable active site residues in the function of thioredoxin family oxidoreductases.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 710, doi. 10.1002/jcc.21086
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- Publication type:
- Article
3
Strategies to model the near-solute solvent molecular density/polarization.
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- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 700, doi. 10.1002/jcc.21089
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- Article
4
Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
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- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 725, doi. 10.1002/jcc.21094
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- Publication type:
- Article
5
PhAST: Pharmacophore alignment search tool.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 761, doi. 10.1002/jcc.21095
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- Publication type:
- Article
6
Prediction of protein folding rates from primary sequences using hybrid sequence representation.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 772, doi. 10.1002/jcc.21096
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- Publication type:
- Article
7
Conformational dependence of charges in protein simulations.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 750, doi. 10.1002/jcc.21097
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- Publication type:
- Article
8
Implementation of dynamical nucleation theory with quantum potentials.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 743, doi. 10.1002/jcc.21098
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- Publication type:
- Article
9
QM/QM docking method based on the variational finite localized molecular orbital approximation.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 784, doi. 10.1002/jcc.21100
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- Publication type:
- Article
10
Application of error-ranked singular value decomposition for the determination of potential-derived atomic-centered point charges.
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- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 733, doi. 10.1002/jcc.21101
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- Publication type:
- Article
11
Application of the dressed time-dependent density functional theory for the excited states of linear polyenes.
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- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 811, doi. 10.1002/jcc.21102
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- Publication type:
- Article
12
Prediction of acidity in acetonitrile solution with COSMO-RS.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 799, doi. 10.1002/jcc.21103
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- Publication type:
- Article
13
Implementation and use of a direct, partially integral-driven non-Dyson propagator method for molecular ionization.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 818, doi. 10.1002/jcc.21104
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- Publication type:
- Article
14
Parallel Fock matrix construction program for molecular orbital calculation—Specific computer with a hierarchical network.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 826, doi. 10.1002/jcc.21108
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- Publication type:
- Article
15
One-electron spin-orbit contribution by effective nuclear charges.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 5, p. 832, doi. 10.1002/jcc.21113
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- Publication type:
- Article