- Computational analysis of ligand recognition sites of homo- and heteropentameric 5-HT(3) receptors.
- Molecular docking and 3D-QSAR studies on beta-phenylalanine derivatives as dipeptidyl peptidase IV inhibitors.
- Improving performance of docking-based virtual screening by structural filtration.
- Addressing limitations with the MM-GB/SA scoring procedure using the WaterMap method and free energy perturbation calculations.
- Computational Modeling Toward Understanding Agonist Binding on Dopamine 3.
Library
Pharmatrope Molecular Spreadsheet - try the Pharmatrope web-delivered molecular spreadsheet from this page.
| Attachment | Size |
|---|---|
| PharmatropeTitanium.pdf | 572.15 KB |
| StructureBasedDrugDesign.ppt | 20.44 MB |
| FreeEnergyTalkPharmatrope.ppt | 21.03 MB |
