Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 399, doi. 10.1007/s10822-010-9347-3
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- Publication type:
- Article
Works matching IS 0920654X AND DT 2010 AND VI 24 AND IP 5
Results: 8
1
2
Successful identification of key chemical structure modifications that lead to improved ADME profiles.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 449, doi. 10.1007/s10822-010-9361-5
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- Publication type:
- Article
3
QM/MM based 3D QSAR models for potent B-Raf inhibitors.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 385, doi. 10.1007/s10822-010-9337-5
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- Publication type:
- Article
4
The effect of CH<sub>3</sub>, F and NO<sub>2</sub> substituents on the individual hydrogen bond energies in the adenine–thymine and guanine–cytosine base pairs.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 409, doi. 10.1007/s10822-010-9348-2
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- Publication type:
- Article
5
Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 459, doi. 10.1007/s10822-010-9362-4
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- Publication type:
- Article
6
Chemical space sampling by different scoring functions and crystal structures.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 433, doi. 10.1007/s10822-010-9356-2
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- Publication type:
- Article
7
Ligand docking and binding site analysis with PyMOL and Autodock/Vina.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 417, doi. 10.1007/s10822-010-9352-6
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- Publication type:
- Article
8
Computational studies on the interaction of ABO-active saccharides with the norovirus VA387 capsid protein can explain experimental binding data.
- Published in:
- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 5, p. 423, doi. 10.1007/s10822-010-9353-5
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- Publication type:
- Article