设为首页
收藏本站
网站地图
|
English
|
公务邮箱
About the library
Background
History
Leadership
Organization
Readers' Guide
Opening Hours
Collections
Help Via Email
Publications
Electronic Information Resources
常用资源
电子图书
期刊论文
学位会议
外文资源
特色专题
内部出版物
SpringerLink电子期刊(2)
Elsevier电子期刊(2)
ACS电子期刊(2)
在“
SpringerLink电子期刊
”中,
命中:
2
条,耗时:0.0209886 秒
在所有数据库中总计命中:
6
条
1.
Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge
作者:
Juyong Lee
;
Florentina Tofoleanu…
关键词:
Absolute binding free energy calculation
;
Hamiltonian replica exchange
;
Thermodynamic integ
ratio
n
;
Bennett’s
acceptance
ratio
;
Double decoupling scheme
;
Host
;
guest complexes
;
Constant
;
pH simulation
刊名:Journal of Computer-Aided Molecular Design
出版年:2017
2.
Predicting binding affinities of host-guest systems in the SAMPL3 blind challenge: the performance of relative free energy calculations
作者:
Gerhard K?nig (1) gerhard.koenig@nih.gov
Bernard R. Brooks (1)
关键词:
Binding free energy calculations – Bennett’s
acceptance
ratio
– Thermodynamic integ
ratio
n – Protonation state – Buffer concent
ratio
n
刊名:Journal of Computer-Aided Molecular Design
出版年:2012
1
按检索点细分(2)
关键词(2)
文摘(2)
按出版年细分(2)
2017年(1)
2012年(1)
NGLC 2004-2010.National Geological Library of China All Rights Reserved.
Add:29 Xueyuan Rd,Haidian District,Beijing,PRC. Mail Add: 8324 mailbox 100083
For exchange or info please contact us via
email
.