Ions Everywhere? Mg2+ in the μ-Opioid GPCR and Atomic Details of Their Impact on Function.
Sign Up to like & getrecommendations! Published in 2019 at "Biophysical journal"
DOI: 10.1016/j.bpj.2019.10.017
Abstract: Filizola and co-workers have applied a combination of long-time molecular dynamics and oscillating chemical potential grand canonical Monte Carlo/molecular dynamics to investigate the distribution of Mg2+ and Na+ in the μ-opioid receptor and their impact… read more here.
Keywords: mg2 opioid; ions everywhere; impact function; atomic details ... See more keywords
"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Sign Up to like & getrecommendations! Published in 2018 at "Structure"
DOI: 10.1016/j.str.2018.01.006
Abstract: Human carbonic anhydrases (hCAs) play various roles in cells, and have been drug targets for decades. Sequence similarities of hCA isoforms necessitate designing specific inhibitors, which requires detailed structural information for hCA-inhibitor complexes. We present… read more here.
Keywords: carbonic anhydrase; human carbonic; protonated atomic; drug ... See more keywords