Hybrid MM/CG Webserver: Automatic Set Up of Molecular Mechanics/Coarse-Grained Simulations for Human G Protein-Coupled Receptor/Ligand Complexes

Hybrid Molecular Mechanics/Coarse-Grained (MM/CG) simulations help predict ligand poses in human G protein-coupled receptors (hGPCRs), the most important protein superfamily for pharmacological applications. This approach allows the description of the ligand, the binding cavity, and the surrounding...

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Detalles Bibliográficos
Autores principales: Schneider, Jakob, Ribeiro, Rui, Alfonso-Prieto, Mercedes, Carloni, Paolo, Giorgetti, Alejandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2020
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7500467/
https://www.ncbi.nlm.nih.gov/pubmed/33102525
http://dx.doi.org/10.3389/fmolb.2020.576689

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7500467/
https://www.ncbi.nlm.nih.gov/pubmed/33102525
http://dx.doi.org/10.3389/fmolb.2020.576689

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