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Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor–Ligand Complexes

[Image: see text] G-protein-coupled receptors (GPCRs) constitute as much as 30% of the overall proteins targeted by FDA-approved drugs. However, paucity of structural experimental information and low sequence identity between members of the family impair the reliability of traditional docking approa...

תיאור מלא

שמור ב:
מידע ביבליוגרפי
הוצא לאור ב:J Chem Theory Comput
Main Authors: Tarenzi, Thomas, Calandrini, Vania, Potestio, Raffaello, Carloni, Paolo
פורמט: Artigo
שפה:Inglês
יצא לאור: American Chemical Society 2019
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC6433333/
https://ncbi.nlm.nih.gov/pubmed/30763087
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00040
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