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...

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Detalles Bibliográficos
Autores principales: Ahinko, Mira, Kurkinen, Sami T., Niinivehmas, Sanna P., Pentikäinen, Olli T., Postila, Pekka A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600450/
https://www.ncbi.nlm.nih.gov/pubmed/31174295
http://dx.doi.org/10.3390/ijms20112779

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