Molecular motions in drug design: the coming age of the metadynamics method.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 5, p. 395, doi. 10.1007/s10822-011-9415-3
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- Publication type:
- Article
Works matching IS 0920654X AND DT 2011 AND VI 25 AND IP 5
Results: 8
1
2
Rapid discovery of inhibitors of Toxoplasma gondii using hybrid structure-based computational approach.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 5, p. 403, doi. 10.1007/s10822-011-9420-6
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- Article
3
Molecular dynamics simulations of pro-apoptotic BH3 peptide helices in aqueous medium: relationship between helix stability and their binding affinities to the anti-apoptotic protein Bcl-X.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 5, p. 413, doi. 10.1007/s10822-011-9428-y
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- Article
4
Drug discovery using very large numbers of patents. General strategy with extensive use of match and edit operations.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 5, p. 427, doi. 10.1007/s10822-011-9429-x
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- Article
5
Rational design, synthesis and biological evaluations of amino-noscapine: a high affinity tubulin-binding noscapinoid.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 5, p. 443, doi. 10.1007/s10822-011-9430-4
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- Article
6
Effect of training data size and noise level on support vector machines virtual screening of genotoxic compounds from large compound libraries.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 5, p. 455, doi. 10.1007/s10822-011-9431-3
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- Article
7
Identification of novel inhibitors of mitogen-activated protein kinase phosphatase-1 with structure-based virtual screening.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 5, p. 469, doi. 10.1007/s10822-011-9432-2
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- Publication type:
- Article
8
Docking glycosaminoglycans to proteins: analysis of solvent inclusion.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 5, p. 477, doi. 10.1007/s10822-011-9433-1
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- Publication type:
- Article