Works matching IS 0920-654X AND VI 22 AND IP 9 AND DT 2008
Results: 9
Molecular modeling on pyruvate phosphate dikinase of Entamoeba histolytica and in silico virtual screening for novel inhibitors.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 647, doi. 10.1007/s10822-007-9130-2
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- Article
Rational design of an enzyme mutant for anti-cocaine therapeutics.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 661, doi. 10.1007/s10822-007-9144-9
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- Article
Protein–ligand docking with multiple flexible side chains.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 673, doi. 10.1007/s10822-007-9148-5
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- Article
A knowledge-based approach to generating diverse but energetically representative ensembles of ligand conformers.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 681, doi. 10.1007/s10822-007-9156-5
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- Article
Homology modeling of 5-lipoxygenase and hints for better inhibitor design.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 611, doi. 10.1007/s10822-008-9180-0
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- Article
An improved relaxed complex scheme for receptor flexibility in computer-aided drug design.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 693, doi. 10.1007/s10822-007-9159-2
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- Article
Improving database enrichment through ensemble docking.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 621, doi. 10.1007/s10822-008-9182-y
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- Article
Simulation-based cheminformatic analysis of organelle-targeted molecules: lysosomotropic monobasic amines.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 629, doi. 10.1007/s10822-008-9194-7
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- Article
Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 9, p. 593, doi. 10.1007/s10822-008-9199-2
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- Article