Discovery of a small-molecule inhibitor of Dvl-CXXC5 interaction by computational approaches.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 643, doi. 10.1007/s10822-018-0118-x
- By:
- Publication type:
- Article
Works matching IS 0920-654X AND VI 32 AND IP 5 AND DT 2018
Results: 6
1
2
DR2DI: a powerful computational tool for predicting novel drug-disease associations.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 633, doi. 10.1007/s10822-018-0117-y
- By:
- Publication type:
- Article
3
Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 583, doi. 10.1007/s10822-018-0116-z
- By:
- Publication type:
- Article
4
Molecular dynamics characterization of the SAMHD1 Aicardi-Goutières Arg145Gln mutant: structural determinants for the impaired tetramerization.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 623, doi. 10.1007/s10822-018-0115-0
- By:
- Publication type:
- Article
5
Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 607, doi. 10.1007/s10822-018-0114-1
- By:
- Publication type:
- Article
6
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 591, doi. 10.1007/s10822-018-0112-3
- By:
- Publication type:
- Article