Incorporating structural characteristics for identification of protein methylation sites.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1532, doi. 10.1002/jcc.21232
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2009 AND VI 30 AND IP 9
Results: 16
1
2
Evaluation of electroosmotic drag coefficient of water in hydrated sodium perfluorosulfonate electrolyte polymer.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1361, doi. 10.1002/jcc.21157
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- Article
3
A new method for the gradient-based optimization of molecular complexes.
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- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1371, doi. 10.1002/jcc.21159
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- Article
4
On the basis-set dependence of local and integrated electron density properties: Application of a new computer program for quantum-chemical density analysis.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1379, doi. 10.1002/jcc.21160
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- Publication type:
- Article
5
Interesting properties of Thomas–Fermi kinetic and Parr electron–electron-repulsion DFT energy functional generated compact one-electron density approximation for ground-state electronic energy of molecular systems.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1445, doi. 10.1002/jcc.21161
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- Publication type:
- Article
6
Typical aromatic noncovalent interactions in proteins: A theoretical study using phenylalanine.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1392, doi. 10.1002/jcc.21162
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- Publication type:
- Article
7
GPCR-CA: A cellular automaton image approach for predicting G-protein–coupled receptor functional classes.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1414, doi. 10.1002/jcc.21163
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- Publication type:
- Article
8
Accurate prediction of heats of formation by a combined method of B3LYP and neural network correction.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1424, doi. 10.1002/jcc.21164
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- Publication type:
- Article
9
GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1465, doi. 10.1002/jcc.21165
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- Publication type:
- Article
10
Modeling the H bond donor strength of &bond;OH, &bond;NH, and &bond;CH sites by local molecular parameters.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1454, doi. 10.1002/jcc.21166
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- Article
11
Insights into the mechanism of methionine oxidation catalyzed by metal (Cu<sup>2+</sup>, Zn<sup>2+</sup>, and Fe<sup>3+</sup>)—Amyloid beta (Aβ) peptide complexes: A computational study.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1405, doi. 10.1002/jcc.21167
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- Publication type:
- Article
12
Formation pathways of DMSO<sub>2</sub> in the addition channel of the OH-initiated DMS oxidation: A theoretical study.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1477, doi. 10.1002/jcc.21168
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- Publication type:
- Article
13
Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1510, doi. 10.1002/jcc.21170
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- Publication type:
- Article
14
Efficient table lookup without inverse square roots for calculation of pair wise atomic interactions in classical simulations.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1490, doi. 10.1002/jcc.21169
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- Publication type:
- Article
15
Reaction mechanism of palladium-catalyzed silastannation of allenes by density functional theory.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1521, doi. 10.1002/jcc.21176
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- Publication type:
- Article
16
A consensus line search algorithm for molecular potential energy functions.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 9, p. 1499, doi. 10.1002/jcc.21175
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- Publication type:
- Article