Haliloglu Turkan, Seyrek Emek, Erman Burak
Polymer Research Center, Bogazici University, Bebek, Istanbul, Turkey.
Phys Rev Lett. 2008 Jun 6;100(22):228102. doi: 10.1103/PhysRevLett.100.228102. Epub 2008 Jun 3.
Residues at the binding sites of the ligand and receptor of several enzyme-inhibitor and antibody-antigen complexes are predicted from the slowest (for the ligand) and fastest (for the receptor) modes of motion by the Gaussian Network Model applied to unbound molecules.
通过应用于未结合分子的高斯网络模型,从配体的最慢运动模式(对于配体)和受体的最快运动模式(对于受体)预测几种酶抑制剂和抗体 - 抗原复合物的配体与受体结合位点处的残基。