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内部出版物
CNKI学位论文(1)
在“
Elsevier电子期刊
”中,
命中:
2
条,耗时:0.0169936 秒
在所有数据库中总计命中:
1
条
1.
Prediction of the
binding
affinity of compounds with diverse scaffolds by MP-CAFEE
作者:
Okimasa Okada
;
Hiroshi Yamashita
;
Kei Takedomi
;
Satoshi Ono
;
Shinji Sunada
;
Hideo Kubodera
关键词:
MP-CAFEE
;
massively
parallel
computation
of
absolute
binding
free
energy
with a well-
equilibrated
system
刊名:Biophysical Chemistry
出版年:2013
2.
Calculation of
absolute
free
energy
of
binding
for theophylline and its analogs to RNA aptamer using nonequilibrium work values
作者:
Yoshiaki Tanida
;
Masakatsu Ito
;
Hideaki Fujitani
关键词:
Absolute
free
energy
calculation
;
Nonequilibrium work theorem
;
Molecular simulation
;
Theophylline
;
RNA
刊名:Chemical Physics
出版年:2007
1
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