Integrating Protein Interaction Surface Prediction with a Fragment-Based Drug Design: Automatic Design of New Leads with Fragments on Energy Surfaces

[Image: see text] Protein–protein interactions (PPIs) have emerged in the past years as significant pharmacological targets in the development of new therapeutics due to their key roles in determining pathological pathways. Herein, we present fragments on energy surfaces, a simple and general design...

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Detalles Bibliográficos
Autores principales: Torielli, Luca, Serapian, Stefano A., Mussolin, Lara, Moroni, Elisabetta, Colombo, Giorgio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9832486/
https://www.ncbi.nlm.nih.gov/pubmed/36574607
http://dx.doi.org/10.1021/acs.jcim.2c01408

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9832486/
https://www.ncbi.nlm.nih.gov/pubmed/36574607
http://dx.doi.org/10.1021/acs.jcim.2c01408

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