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@ARTICLE{AlfonsoPrieto:862342,
author = {Alfonso-Prieto, Mercedes and Giorgetti, Alejandro and
Carloni, Paolo},
title = {{M}ultiscale simulations on human {F}rizzled and {T}aste2
{GPCR}s},
journal = {Current opinion in structural biology},
volume = {55},
issn = {0959-440X},
address = {Amsterdam [u.a.]},
publisher = {Elsevier},
reportid = {FZJ-2019-02680},
pages = {8-16},
year = {2019},
abstract = {Recently, molecular dynamics simulations, from all atom and
coarse grained to hybrid methods bridging the two scales,
have provided exciting functional insights into class F
(Frizzled and Taste2) GPCRs (about 40 members in humans).
Findings include: (i) The activation of one member of the
Frizzled receptors (FZD4) involves a bending of
transmembrane helix TM7 far larger than that in class A
GPCRs. (ii) The affinity of an anticancer drug targeting
another member (Smoothened receptor) decreases in a specific
drug-resistant variant, because the mutation ultimately
disrupts the binding cavity and affects TM6. (iii) A novel
two-state recognition mechanism explains the very large
agonist diversity for at least one member of the Taste2
GPCRs, hTAS2R46.},
cin = {IAS-5 / INM-9},
ddc = {570},
cid = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
pnm = {574 - Theory, modelling and simulation (POF3-574)},
pid = {G:(DE-HGF)POF3-574},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:30933747},
UT = {WOS:000482514400004},
doi = {10.1016/j.sbi.2019.02.009},
url = {https://juser.fz-juelich.de/record/862342},
}