Application of the ESMACS Binding Free Energy Protocol to a Multi‐Binding Site Lactate Dehydogenase A Ligand Dataset

Over the past two decades, the use of fragment‐based lead generation has become a common, mature approach to identify tractable starting points in chemical space for the drug discovery process. This approach naturally involves the study of the binding properties of highly heterogeneous ligands. Such...

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Detalles Bibliográficos
Autores principales: Wright, David W., Husseini, Fouad, Wan, Shunzhou, Meyer, Christophe, van Vlijmen, Herman, Tresadern, Gary, Coveney, Peter V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8438761/
https://www.ncbi.nlm.nih.gov/pubmed/34553124
http://dx.doi.org/10.1002/adts.201900194

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8438761/
https://www.ncbi.nlm.nih.gov/pubmed/34553124
http://dx.doi.org/10.1002/adts.201900194

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