Computational study of the structural ensemble of cc chemokine receptor type 5 (ccr5) and its interactions with different ligands

HIGHLIGHTS

• who: Guillermo Goode-Romero and Laura Dominguez from the Departamento de Fisicoquu0131u0301mica, Facultad de Quu0131u0301mica, Universidad Nacional Autou0301noma de Mu00e9xico, Mexico have published the paper: Computational study of the structural ensemble of CC chemokine receptor type 5 (CCR5) and its interactions with different ligands, in the Journal: PLOS ONE of May/26,/2022
• what: The authors characterized key structural features of the CCR5 receptor employing extensive atomistic molecular dynamics (MD) in its apo form and in complex with an endogenous agonist the chemokine CCL5/RANTES an HIV entry inhibitor the partial inverse agonist maraviroc and . . .
  

   

  

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