Combined QSAR and molecule docking studies on predicting P-glycoprotein inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 12, p. 1067, doi. 10.1007/s10822-013-9697-8
- By:
- Publication type:
- Article
Works matching IS 0920654X AND DT 2013 AND VI 27 AND IP 12
Results: 6
1
2
Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 12, p. 1075, doi. 10.1007/s10822-013-9699-6
- By:
- Publication type:
- Article
3
Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactions.
- Published in:
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 12, p. 1051, doi. 10.1007/s10822-013-9696-9
- By:
- Publication type:
- Article
4
Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery.
- Published in:
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 12, p. 1009, doi. 10.1007/s10822-013-9698-7
- By:
- Publication type:
- Article
5
Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics.
- Published in:
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 12, p. 989, doi. 10.1007/s10822-013-9689-8
- By:
- Publication type:
- Article
6
Development of purely structure-based pharmacophores for the topoisomerase I-DNA-ligand binding pocket.
- Published in:
- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 12, p. 1037, doi. 10.1007/s10822-013-9695-x
- By:
- Publication type:
- Article