Paper Citing NAMD - Abstract
Li Jilai; Geng Caiyun; Bu Yuxiang; Zhang Liang; Zhang Laibin; Huang Xuri; Sun Chiachung
Decoupling Interactions between EF-hands of Recoverin and Ca2+: Steered Molecular Dynamics Simulation
ACTA CHIMICA SINICA, 67:1597-1602, JUL 28 2009
Recoverin is an important branch of neuronal calcium sensor. To clarify the coupling/decoupling interaction mechanism between EF-hands and Ca2+, a series of constant force pulling and constant velocity pulling non-equilibrium molecular dynamics simulations were performed by using a steered molecular dynamics method. The results show that, among the residues in the EF-2 and EF-3 loop motifs, the orders of chelation abilities are Asn-76
