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A Practical Perspective: The Effect of Ligand Conformers on the Negative Image-Based Screening
Negative image-based (NIB) screening is a rigid molecular docking methodology that can also be employed in docking rescoring. During the NIB screening, a negative image is generated based on the target protein’s ligand-binding cavity by inverting its shape and electrostatics. The resulting NIB model...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600450/ https://www.ncbi.nlm.nih.gov/pubmed/31174295 http://dx.doi.org/10.3390/ijms20112779 |