Characterization of a complete cycle of acetylcholinesterase catalysis by ab initio QM/MM modeling.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 409
- By:
- Publication type:
- Article
Works matching IS 16102940 AND DT 2008 AND VI 14 AND IP 5
Results: 12
1
2
Theoretical study of the novel sandwich compound [Au<sub>3</sub>Cl<sub>3</sub>Tr<sub>2</sub>]<sup>2</sup>.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 417
- By:
- Publication type:
- Article
3
Molecular modeling and dynamics studies of cytidylate kinase from Mycobacterium tuberculosis H37Rv.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 427
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- Publication type:
- Article
4
The decomposition of α-aminophosphine oxides to phosphonic acid derivatives (P<sup>III</sup>).
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 435, doi. 10.1007/s00894-008-0292-1
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- Publication type:
- Article
5
SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 393, doi. 10.1007/s00894-008-0286-z
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- Publication type:
- Article
6
The mechanism and kinetics of decomposition of 5-aminotetrazole.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 403, doi. 10.1007/s00894-008-0290-3
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- Publication type:
- Article
7
Effect of microsolvation on zwitterionic glycine: an ab initio and density functional theory study.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 385, doi. 10.1007/s00894-008-0282-3
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- Publication type:
- Article
8
Vibrational spectral assignments of paraldehyde by ab initio and density functional methods.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 375, doi. 10.1007/s00894-008-0281-4
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- Publication type:
- Article
9
Molecular modeling studies of poly lactic acid initiation mechanisms.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 367, doi. 10.1007/s00894-008-0278-z
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- Publication type:
- Article
10
Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 343
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- Publication type:
- Article
11
DFT-based molecular modeling and vibrational study of the La(III) complex of 3,3â²-(benzylidene)bis(4-hydroxycoumarin).
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 353, doi. 10.1007/s00894-008-0277-0
- By:
- Publication type:
- Article
12
Ab initio analysis of the Cope rearrangement of germacrane sesquiterpenoids.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 5, p. 335, doi. 10.1007/s00894-008-0274-3
- By:
- Publication type:
- Article