Computational studies on horseshoe shape pocket of human orexin receptor type 2 and boat conformation of suvorexant by molecular dynamics simulations - Bai, Qifeng; Pérez‐Sánchez, Horacio; Shi, Zhuoyu; Li, Lanlan; Shi, Danfeng; Liu, Huanxiang; Yao, Xiaojun (Chemical biology & drug design, 2018)
Keywords: GPCR; human orexin receptor type 2; MMGBSA; molecular dynamics simulations; QM/MM; molecular dynamics simulations; GPCR; MMGBSA; QM/MM; human orexin receptor type 2