Structural and dynamical analysis of the hydration of the Alzheimer's β-amyloid peptide.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 143, doi. 10.1002/jcc.10101
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2003 AND VI 24 AND IP 2
Results: 11
1
2
Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 154, doi. 10.1002/jcc.10152
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- Publication type:
- Article
3
An improved method for nonbonded list generation: Rapid determination of near-neighbor pairs.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 222, doi. 10.1002/jcc.10123
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- Publication type:
- Article
4
Hybrid QM/MM molecular dynamics simulations for an ionic S<sub>N</sub>2 reaction in the supercritical water: OH<sup>−</sup> + CH<sub>3</sub>Cl → CH<sub>3</sub>OH + Cl<sup>−</sup>.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 209, doi. 10.1002/jcc.10134
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- Publication type:
- Article
5
Prediction of β-sheet topology and disulfide bridges in polypeptides.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 191, doi. 10.1002/jcc.10167
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- Publication type:
- Article
6
Computational study of epoxy-amine reactions.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 244, doi. 10.1002/jcc.10138
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- Publication type:
- Article
7
Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 161, doi. 10.1002/jcc.10159
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- Publication type:
- Article
8
Exact rotamer optimization for protein design.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 232, doi. 10.1002/jcc.10121
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- Publication type:
- Article
9
An ab initio force field for the cofactors of bacterial photosynthesis.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 129, doi. 10.1002/jcc.10198
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- Publication type:
- Article
10
Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 177, doi. 10.1002/jcc.10154
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- Publication type:
- Article
11
ICFF: A new method to incorporate implicit flexibility into an internal coordinate force field.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 2, p. 254, doi. 10.1002/jcc.10091
- By:
- Publication type:
- Article