药物设计-基于结构和配体的方法

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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)

ligand docking and, 107 107

public structures in, 107 107

RMSD-DPI and, 107 107

Vioxx. See rofecoxib 0

Viracept, 87 87

virtual screening 0

for docking, 3–4, 99–100, 104–105 105

GLIDE program, 3, 4–5 5

for GPCRs, 251–252 252

NNRTIs, 3–4 4

for QSAR models, 159 159

ZINC database, 4 4

water binding free energy, 74 74

water molecules, in x-ray crystallography,23–24 24

surface mapping for, 26–27 27

Water/Ligand Observed via Gradient 0

SpectroscopY (WaterLOGSY) 0

method, in NMR, 47–48 48

WaterLOGSY method. SeeWater/Ligand 0

Observed via Gradient 0

SpectroscopY (WaterLOGSY) 0

method, in NMR 0

weighted histogram analysis method (WHAM), 68 68

WHAM. See weighted histogram analysis 0

method 0

Wilcoxon-Mann-Whitney nonparametric 0

rank-order tests, 101–102 102

William the Conqueror, 98 98

x-ray crystallography, drug discovery and,17–28 28

advantages of, 24–25 25

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