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13136136841)

basic requirements for, 17 17

for proteins, 17 17

data collection for, 18–20 18 20

diffraction and, 18 18

resolution of, 20 20

with scattered beams, 18 18

disadvantages of, 25 25

strategies against, 25 25

electron density map for, 20, 21–22 20 21 22

diffraction studies and, 21 21

display for, 22 22

interpretation of, 21–22 21 22

occupancies in, 22 22

solvent flattening and, 21 21

with HGLP, 262 262

phasing in, 20–21 20 21

electron density map for, 20 20

molecular replacement and, 20 20

structure determination from, 20–21 20 21

waves and, 20 20

quantum mechanics in, 120–123 120 123

EREF formalism for, 121–122 121 122

refinement of, in SBDD, 22–24, 123 22 24 123

misinterpretation measures and, 24 24

protein data and, 24–26 24 26

quantum mechanics and, 120–123 120 123

R factor in, 23 23

surface mapping in, 25–28 25 28

electron density in, 25–26 25 26

molecular binding in, 27 27

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