药物设计-基于结构和配体的方法 1741条(本栏目收费,不能显示细节,电话15274084725)
interaction energy decomposition in,131 131
linear scaling in, 130–131 131
molecular quantum similarity and,133 133
in NMR refinement, 123–125 125
protein structuremodeling with,125–127 127
in x-ray refinement, 120–123 123
surface mapping, 25–28 28
electron density in, 25–26 26
molecular binding in, 27 27
regional association in, 27–28 28
substructure decomposition and, 27 27
for water molecules, 26–27 27
surface plasmon resonance (SPR), 35 35
with complementary biophysical 0
sustained virologic response (SVR), for HCV,209 209
SVR. See sustained virologic response (SVR), 0
T4 lysozyme ligand binding, 74–75 75
negative results for, 77 77
target-directed methods, of NMR, 45–47 47