Design of e-pharmacophore models using compound fragments for the trans-sialidase of Trypanosoma cruzi: screening for novel inhibitor scaffolds. [electronic resource]
Producer: 20140527Description: 84-97 p. digitalISSN:- 1873-4243
- Antiprotozoal Agents -- chemistry
- Binding Sites
- Drug Design
- Enzyme Inhibitors -- chemistry
- Glycoproteins -- chemistry
- Humans
- Hydrogen Bonding
- Models, Molecular
- Molecular Conformation
- Molecular Docking Simulation
- Molecular Dynamics Simulation
- Molecular Structure
- Neuraminidase -- chemistry
- Protein Binding
- Trypanosoma cruzi -- enzymology
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Publication Type: Journal Article; Research Support, N.I.H., Extramural
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