DStruBTarget: Integrating Binding Affinity with Structure Similarity for Ligand-Binding Protein Prediction
| Autor: | Ping-pui Wong, Cong Fan, Huiying Zhao |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010304 chemical physics
Protein Conformation Chemistry General Chemical Engineering Datasets as Topic Proteins General Chemistry Computational biology Ligand Binding Protein Library and Information Sciences Crystallography X-Ray Ligands Ligand (biochemistry) 01 natural sciences 0104 chemical sciences Computer Science Applications Molecular Docking Simulation 010404 medicinal & biomolecular chemistry Similarity (network science) Drug development 0103 physical sciences Protein Binding |
| Zdroj: | Journal of Chemical Information and Modeling. 60:400-409 |
| ISSN: | 1549-960X 1549-9596 |
| Popis: | Motivation: Identification of ligand-binding proteins is an important issue for drug development. Most of the current computational approach is developed only utilizing ligand structure similarity.... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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