A graph theoretical approach for assessing bio-macromolecular complex structural stability.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1349, doi. 10.1007/s00894-009-0494-1
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- Publication type:
- Article
Works matching IS 16102940 AND DT 2009 AND VI 15 AND IP 11
Results: 11
1
2
Structure and dynamics of the influenza A M2 Channel: a comparison of three structures.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1317, doi. 10.1007/s00894-009-0493-2
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- Article
3
Theoretical investigations on the hydrolysis pathway of tin verdoheme complexes: elucidation of tin’s ring opening inhibition role.
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- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1299, doi. 10.1007/s00894-009-0495-0
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- Article
4
DFT investigation of the 1-octene metathesis reaction mechanism with the Phobcat precatalyst.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1371, doi. 10.1007/s00894-009-0513-2
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- Publication type:
- Article
5
Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue.
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- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1391, doi. 10.1007/s00894-009-0507-0
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- Article
6
Catalytic activities of dismution reactions of Cu(bpy)Br<sub>2</sub> compound and its derivatives as SOD mimics: A theoretical study.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1397, doi. 10.1007/s00894-009-0505-2
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- Article
7
Characterizing rare-event property distributions via replicate molecular dynamics simulations of proteins.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1383, doi. 10.1007/s00894-009-0504-3
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- Publication type:
- Article
8
A quantum chemical study of repair of O6-methylguanine to guanine by tyrosine: Evaluation of the winged helix-turn-helix model.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1407, doi. 10.1007/s00894-009-0499-9
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- Article
9
Developing novel approaches to improve binding energy estimation and virtual screening: a PARP case study.
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- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1337, doi. 10.1007/s00894-009-0497-y
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- Article
10
Structures and aromaticity of X<sub>2</sub>Y<sub>2</sub><sup>−</sup> (X = C, Si, Ge and Y = N, P, As) anions.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1329, doi. 10.1007/s00894-009-0496-z
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- Publication type:
- Article
11
Parameterization of aromatic azido groups: application as photoaffinity probes in molecular dynamics studies.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1291, doi. 10.1007/s00894-009-0488-z
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- Publication type:
- Article