Neural network-based prediction of transmembrane β-strand segments in outer membrane proteins.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 762, doi. 10.1002/jcc.10386
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2004 AND VI 25 AND IP 5
Results: 17
1
2
Intramolecular CH...C<sub>carbene</sub> hydrogen bonds and competing interactions in monoprotonated tripodal carbenes.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 649, doi. 10.1002/jcc.20004
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- Publication type:
- Article
3
SVMtm: Support vector machines to predict transmembrane segments.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 632, doi. 10.1002/jcc.10411
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- Publication type:
- Article
4
Solvent effects on glycine II. Water-assisted tautomerization.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 690, doi. 10.1002/jcc.10422
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- Publication type:
- Article
5
A multilayered approach to approximating solute polarization.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 627, doi. 10.1002/jcc.10408
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- Publication type:
- Article
6
Study of proton adsorption at heterogeneous oxide/electrolyte interface. Prediction of the surface potential using Monte Carlo simulations and 1-pK approach.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 704, doi. 10.1002/jcc.10419
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- Publication type:
- Article
7
Nature of bonding in the sulfuryl group.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 734, doi. 10.1002/jcc.20003
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- Publication type:
- Article
8
TDDFT investigation on nucleic acid bases: Comparison with experiments and standard approach.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 768, doi. 10.1002/jcc.20007
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- Publication type:
- Article
9
Numerical examination of performance of some exchange-correlation functionals for molecules containing heavy elements.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 669, doi. 10.1002/jcc.10421
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- Publication type:
- Article
10
Stochastic search for isomers on a quantum mechanical surface.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 621, doi. 10.1002/jcc.10407
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- Publication type:
- Article
11
A generating equation for mixing rules and two new mixing rules for interatomic potential energy parameters.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 660, doi. 10.1002/jcc.10418
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- Publication type:
- Article
12
Accurate and fast algorithm of the molecular incomplete gamma function with a complex argument.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 739, doi. 10.1002/jcc.20002
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- Publication type:
- Article
13
Importance of solvent accessibility and contact surfaces in modeling side-chain conformations in proteins.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 712, doi. 10.1002/jcc.10420
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- Publication type:
- Article
14
Performance of the Harris functional for extended basis sets at the Hartree-Fock and density functional levels.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 637, doi. 10.1002/jcc.10406
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- Publication type:
- Article
15
Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: Diffusion, free energy of hydration, and structural properties.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 678, doi. 10.1002/jcc.10417
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- Publication type:
- Article
16
Simple algorithm for isothermal-isobaric molecular dynamics.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 749, doi. 10.1002/jcc.20001
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- Publication type:
- Article
17
Enthalpies of formation from B3LYP calculations.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 5, p. 725, doi. 10.1002/jcc.10398
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- Publication type:
- Article