Discovery of a small-molecule inhibitor of Dvl-CXXC5 interaction by computational approaches.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 643, doi. 10.1007/s10822-018-0118-x
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- Article
Works in Journal of Computer-Aided Molecular Design, 2018, Vol 32, Issue 5
Results: 6
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DR2DI: a powerful computational tool for predicting novel drug-disease associations.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 633, doi. 10.1007/s10822-018-0117-y
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- Publication type:
- Article
3
Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 583, doi. 10.1007/s10822-018-0116-z
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- Publication type:
- Article
4
Molecular dynamics characterization of the SAMHD1 Aicardi-Goutières Arg145Gln mutant: structural determinants for the impaired tetramerization.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 623, doi. 10.1007/s10822-018-0115-0
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- Publication type:
- Article
5
Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 607, doi. 10.1007/s10822-018-0114-1
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- Publication type:
- Article
6
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 591, doi. 10.1007/s10822-018-0112-3
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- Article