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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Bibliografiska uppgifter
I publikationen:Front Mol Biosci
Huvudupphovsmän: Schneider, Jakob, Ribeiro, Rui, Alfonso-Prieto, Mercedes, Carloni, Paolo, Giorgetti, Alejandro
Materialtyp: Artigo
Språk:Inglês
Publicerad: Frontiers Media S.A. 2020
Ämnen:
Molecular Biosciences
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC7500467/
https://ncbi.nlm.nih.gov/pubmed/33102525
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fmolb.2020.576689
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