Generation of ligand conformations in continuum solvent consistent with protein active site topology: application to thrombin. [electronic resource]
Producer: 20030508Description: 1293-305 p. digitalISSN:- 0022-2623
- Benzene Derivatives -- chemical synthesis
- Binding Sites
- Computer Simulation
- Crystallography, X-Ray
- Humans
- Ligands
- Models, Molecular
- Molecular Conformation
- Protein Binding
- Pyridines -- chemical synthesis
- Quantitative Structure-Activity Relationship
- Serine Proteinase Inhibitors -- chemical synthesis
- Sulfones -- chemical synthesis
- Thrombin -- antagonists & inhibitors
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Publication Type: Journal Article
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