CORAL: QSAR Models for Acute Toxicity in Fathead Minnow (Pimephales promelas).
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 12, p. 1218, doi. 10.1002/jcc.22953
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 12
Results: 7
1
2
Flexible Protein-Ligand Docking Using the Fleksy Protocol.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 12, p. 1215, doi. 10.1002/jcc.22948
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- Publication type:
- Article
3
Enabling Grand-Canonical Monte Carlo: Extending the Flexibility of GROMACS Through the GromPy Python Interface Module.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 12, p. 1207, doi. 10.1002/jcc.22947
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- Publication type:
- Article
4
Curvature Correction for Microiterative Optimizations with QM/MM Electronic Embedding.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 12, p. 1197, doi. 10.1002/jcc.22951
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- Publication type:
- Article
5
Simulated Infrared Spectra of Triflic Acid During Proton Dissociation.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 12, p. 1190, doi. 10.1002/jcc.22950
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- Publication type:
- Article
6
A Semiempirical Approach to Ligand-Binding Affinities: Dependence on the Hamiltonian and Corrections.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 12, p. 1179, doi. 10.1002/jcc.22949
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- Publication type:
- Article
7
A Complete Set of Self-Consistent Charge Density-Functional Tight-Binding Parametrization of Zinc Chalcogenides (ZnX; X=O, S, Se, and Te).
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 12, p. 1165, doi. 10.1002/jcc.22945
- By:
- Publication type:
- Article