ES-Screen: A Novel Electrostatics-Driven Method for Drug Discovery Virtual Screening

Electrostatic interactions drive biomolecular interactions and associations. Computational modeling of electrostatics in biomolecular systems, such as protein-ligand, protein–protein, and protein-DNA, has provided atomistic insights into the binding process. In drug discovery, finding biologically p...

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Detalles Bibliográficos
Autores principales: Issa, Naiem T., Byers, Stephen W., Dakshanamurthy, Sivanesan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9736079/
https://www.ncbi.nlm.nih.gov/pubmed/36499162
http://dx.doi.org/10.3390/ijms232314830

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9736079/
https://www.ncbi.nlm.nih.gov/pubmed/36499162
http://dx.doi.org/10.3390/ijms232314830

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