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- W2980985309 abstract "The free-energy landscape of interaction between a medium-sized peptide, endothelin 1 (ET1), and its receptor, human endothelin type B receptor (hETB), was computed using multidimensional virtual-system coupled molecular dynamics, which controls the system's motions by introducing multiple reaction coordinates. The hETB embedded in lipid bilayer was immersed in explicit solvent. All molecules were expressed as all-atom models. The resultant free-energy landscape had five ranges with decreasing ET1-hETB distance: completely dissociative, outside-gate, gate, binding pocket, and genuine-bound ranges. In the completely dissociative range, no ET1-hETB interaction appeared. In the outside-gate range, an ET1-hETB attractive interaction was the fly-casting mechanism. In the gate range, the ET1 orientational variety decreased rapidly. In the binding pocket range, ET1 was in a narrow pathway with a steep free-energy slope. In the genuine-bound range, ET1 was in a stable free-energy basin. A G-protein-coupled receptor (GPCR) might capture its ligand from a distant place." @default.
- W2980985309 created "2019-10-25" @default.
- W2980985309 creator A5035143113 @default.
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- W2980985309 creator A5089806431 @default.
- W2980985309 date "2019-07-01" @default.
- W2980985309 modified "2023-10-14" @default.
- W2980985309 title "Free-energy landscape of molecular interactions between endothelin 1 and human endothelin type B receptor: fly-casting mechanism" @default.
- W2980985309 cites W1565051919 @default.
- W2980985309 cites W1829960224 @default.
- W2980985309 cites W1965127482 @default.
- W2980985309 cites W1967084512 @default.
- W2980985309 cites W1969578844 @default.
- W2980985309 cites W1971801102 @default.
- W2980985309 cites W1973940579 @default.
- W2980985309 cites W1976161355 @default.
- W2980985309 cites W1976499671 @default.
- W2980985309 cites W1980922249 @default.
- W2980985309 cites W1980989103 @default.
- W2980985309 cites W1981225934 @default.
- W2980985309 cites W1990568207 @default.
- W2980985309 cites W1990996314 @default.
- W2980985309 cites W1994840640 @default.
- W2980985309 cites W1995775850 @default.
- W2980985309 cites W1997820351 @default.
- W2980985309 cites W2001368885 @default.
- W2980985309 cites W2007008725 @default.
- W2980985309 cites W2008732224 @default.
- W2980985309 cites W2010912149 @default.
- W2980985309 cites W2013399281 @default.
- W2980985309 cites W2013593586 @default.
- W2980985309 cites W2016170088 @default.
- W2980985309 cites W2022298113 @default.
- W2980985309 cites W2023487073 @default.
- W2980985309 cites W2023940150 @default.
- W2980985309 cites W2024553805 @default.
- W2980985309 cites W2028835439 @default.
- W2980985309 cites W2034299708 @default.
- W2980985309 cites W2035266068 @default.
- W2980985309 cites W2035395192 @default.
- W2980985309 cites W2042980919 @default.
- W2980985309 cites W2043580883 @default.
- W2980985309 cites W2048351441 @default.
- W2980985309 cites W2058740965 @default.
- W2980985309 cites W2059369537 @default.
- W2980985309 cites W2063371064 @default.
- W2980985309 cites W2081422988 @default.
- W2980985309 cites W2086086905 @default.
- W2980985309 cites W2092990817 @default.
- W2980985309 cites W2103034037 @default.
- W2980985309 cites W2103325328 @default.
- W2980985309 cites W2106140689 @default.
- W2980985309 cites W2106531843 @default.
- W2980985309 cites W2114227821 @default.
- W2980985309 cites W2115359460 @default.
- W2980985309 cites W2117285383 @default.
- W2980985309 cites W2118998349 @default.
- W2980985309 cites W2130367897 @default.
- W2980985309 cites W2141773400 @default.
- W2980985309 cites W2147993766 @default.
- W2980985309 cites W2151869895 @default.
- W2980985309 cites W2162804111 @default.
- W2980985309 cites W2169017143 @default.
- W2980985309 cites W2169693347 @default.
- W2980985309 cites W2265102996 @default.
- W2980985309 cites W2323104785 @default.
- W2980985309 cites W2329867073 @default.
- W2980985309 cites W2346117320 @default.
- W2980985309 cites W2417631307 @default.
- W2980985309 cites W2419035796 @default.
- W2980985309 cites W2483252796 @default.
- W2980985309 cites W2513912936 @default.
- W2980985309 cites W2514773953 @default.
- W2980985309 cites W2516810373 @default.
- W2980985309 cites W2523656599 @default.
- W2980985309 cites W2530847795 @default.
- W2980985309 cites W2561659380 @default.
- W2980985309 cites W2578119541 @default.
- W2980985309 cites W2582772811 @default.
- W2980985309 cites W2588135513 @default.
- W2980985309 cites W2600950672 @default.
- W2980985309 cites W2763077244 @default.
- W2980985309 cites W2767555294 @default.
- W2980985309 cites W2781564573 @default.
- W2980985309 cites W2793356008 @default.
- W2980985309 cites W2796318934 @default.
- W2980985309 cites W2922172000 @default.
- W2980985309 doi "https://doi.org/10.1093/protein/gzz029" @default.
- W2980985309 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7052515" @default.
- W2980985309 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31608410" @default.
- W2980985309 hasPublicationYear "2019" @default.
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