Paper Citing NAMD - Abstract
Li Bo; Zhu Hao-Miao; Wang Ying; Zhao Bo; Li Li; Shen Jian
Molecular Dynamics Simulation of the Effect of Different Materials Surface on Natural Behavior of Nine Peptides of Coagulation Factor XII
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 30:23-28, NOV 30 2009
Using NAMD with CHARMm force field, molecular dynamics simulations over 5 ns were applied to four different systems-single nine peptides of coagulation Factor XII (FXII) nine peptides of FXII with hydrophobic, hydrophilic or zwitterionic material. According to the analysis of the RMSD, conformational energy and dihedral energy etc. the zwitterionic material and hydrophilic material are suitable for keeping the natural behavior of nine peptides of FXII.
