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13136136841)
basic requirements for, 17 17
data collection for, 18–20 20
with scattered beams, 18 18
strategies against, 25 25
electron density map for, 20, 21–22 22
diffraction studies and, 21 21
interpretation of, 21–22 22
solvent flattening and, 21 21
electron density map for, 20 20
molecular replacement and, 20 20
structure determination from, 20–21 21
quantum mechanics in, 120–123 123
EREF formalism for, 121–122 122
refinement of, in SBDD, 22–24, 123 123
misinterpretation measures and, 24 24
protein data and, 24–26 26
quantum mechanics and, 120–123 123
surface mapping in, 25–28 28
electron density in, 25–26 26
molecular binding in, 27 27