• Published 2014

Free energy landscape of G-protein coupled receptors , explored by accelerated molecular dynamics †

@inproceedings{Miao2014FreeEL,
  title={Free energy landscape of G-protein coupled receptors , explored by accelerated molecular dynamics †},
  author={Yinglong Miao and Sara E. Nichols and James Andrew McCammon},
  year={2014}
}
G-protein coupled receptors (GPCRs) mediate cellular responses to various hormones and neurotransmitters and are important targets for treating a wide spectrum of diseases. They are known to adopt multiple conformational states (e.g., inactive, intermediate and active) during their modulation of various cell signaling pathways. Here, the free energy landscape of GPCRs is explored using accelerated molecular dynamics (aMD) simulations as demonstrated on the M2 muscarinic receptor, a key GPCR… CONTINUE READING

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