Normal Mode analysis of GFP using ONIOM (partition 1)
Thompson Lee · Figshare · 2013
Normal Mode Analysis of A specices of Green Fluroescent Protein (GFP) computed using ONIOM-ME(B3LYP/6-31+G(d):AMBER) and ONIOM-EE(B3LYP/6-31+G(d):AMBER) along with vibrational transition dipole vectors for each mode. The S0-->S1 electronic transition dipole is computed with ONIOM-ME(TD-B3LYP/6-31+G(d):AMBER) and ONIOM-EE(TD-B3LYP/6-31+G(d):AMBER).