AtlasCBS: a web server to map and explore chemico-biological space.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 995, doi. 10.1007/s10822-012-9587-5
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- Publication type:
- Article
Works matching IS 0920-654X AND VI 26 AND IP 9 AND DT 2012
Results: 9
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2
Our gratitude to outgoing Editor-in-Chief Andrew Leach and a hearty welcome to new Editor-in-Chief, Richards Lewis.
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- 2012
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- Publication type:
- Editorial
3
Integrated in silico approaches for the prediction of Ames test mutagenicity.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1017, doi. 10.1007/s10822-012-9595-5
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- Publication type:
- Article
4
Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1045, doi. 10.1007/s10822-012-9597-3
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- Publication type:
- Article
5
Mechanism of falcipain-2 inhibition by α,β-unsaturated benzo[1,4]diazepin-2-one methyl ester.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1035, doi. 10.1007/s10822-012-9596-4
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- Publication type:
- Article
6
The receptor-dependent LQTA-QSAR: application to a set of trypanothione reductase inhibitors.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1055, doi. 10.1007/s10822-012-9598-2
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- Publication type:
- Article
7
Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1005, doi. 10.1007/s10822-012-9594-6
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- Publication type:
- Article
8
Computational design of a Diels-Alderase from a thermophilic esterase: the importance of dynamics.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1079, doi. 10.1007/s10822-012-9601-y
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- Publication type:
- Article
9
Computational discovery of putative quorum sensing inhibitors against LasR and RhlR receptor proteins of Pseudomonas aeruginosa.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 9, p. 1067, doi. 10.1007/s10822-012-9599-1
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- Publication type:
- Article