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Файл:Ординатура / Хирургия / Библиотека им академика М.И. Перельмана / Книга_5728_Библиотеки_им_академика_М_И_Перельмана
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QSAR 17, 19, 25–26, 30, 34, 36, 40, 44–46, 49,
53–54, 58, 72, 80, 85, 90, 105–106, 116, 118,
230, 249, 316
quantitative structure–activity relationship 6, 17,
34, 53, 80
quantum mechanics 139, 147
quasi-Newton method 171–172
quaternary structure of a protein 273
query protein 274
Ramachandran plot 287
replica-exchange molecular dynamics 286
rigid docking 199
SBDD 6, 19
scoring of ligand–receptor binding 192
secondary structure of a protein 271
second-order energy minimization 169
semiflexible docking 200
sequential univariate method 176
similarity search-based screening 325
simple linear regression 106
simulated annealing 192
simulation method-based search algorithms
191, 299
SLR 106
small-molecule alignment-based similarity
search 325
steepest descent energy minimization 166
steepest descent method 166
steric parameters 45, 47
STERIMOL 47
stochastic or random search algorithms 188, 299
structure-based de novo drug designing 251
structure-based drug designing (SBDD) 6
structure-based pharmacophore modeling 306,
310–311
structure-based virtual screening 318–319, 321
strucuture-based drug designing 6
systematic search algorithms 185, 299
Tabu search (TS) algorithm 191
Taft’s steric factor 45
Taft’s steric parameter 47, 56
template protein 276
tertiary structure of the protein 272
Topliss scheme 61
Topliss scheme I 62
Topliss scheme II 65
topological descriptors 74
torsion energy 142
toxicity 237
toxophore 294
virtual screening 251, 316
virtual screening techniques 2
Index 339
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