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
Wiley电子期刊(1)
SpringerLink电子期刊(53)
Elsevier电子期刊(125)
Springer电子图书(1)
NATURE电子期刊(3)
ACS电子期刊(24)
在“
SpringerLink电子期刊
”中,
命中:
53
条,耗时:小于0.01 秒
在所有数据库中总计命中:
207
条
1.
Docking-undocking combination applied to the
D3R
Grand Challenge 2015
作者:
Sergio Ruiz-Carmona
;
Xavier Barril
关键词:
D3R
;
Drug discovery data resource
;
Grand Challenge
;
Docking
;
Dynamic
;
Undocking
;
GC2015
;
Protein flexibility
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
2.
Large scale free energy calculations for blind predictions of protein–ligand binding: the
D3R
Grand Challenge 2015
作者:
Nanjie Deng
;
William F. Flynn
;
Junchao Xia…
关键词:
D3R
;
GC2015
;
Hsp90
;
Binding free energy
;
Docking
;
ROC
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
3.
A
D3R
prospective evaluation of machine learning for protein-ligand scoring
作者:
Jocelyn Sunseri
;
Matthew Ragoza…
关键词:
Protein
;
ligand scoring
;
Machine learning
;
Virtual screening
;
D3R
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
4.
DockBench
as docking selector tool: the lesson learned from
D3R
Grand Challenge 2015
作者:
Veronica Salmaso
;
Mattia Sturlese…
关键词:
DockBench
;
D3R
Grand Challenge 2015
;
Blind prediction
;
Molecular docking
;
Docking benchmark
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
5.
D3R
grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions
作者:
Symon Gathiaka
;
Shuai Liu
;
Michael Chiu…
关键词:
D3R
;
Docking
;
Scoring
;
Free energy
;
Ligand
;
Protein
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
6.
Docking pose selection by interaction pattern graph similarity: application to the
D3R
grand challenge 2015
作者:
Inna Slynko
;
Franck Da Silva
;
Guillaume Bret…
关键词:
Docking
;
D3R
;
Drug discovery data resource
;
Grand challenge
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
7.
Binding-affinity predictions of HSP90 in the
D3R
Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
作者:
Majda Misini Ignjatović
;
Octav Caldararu…
关键词:
Ligand
;
binding affinity
;
Induced
;
fit docking
;
MM/GBSA
;
QM/MM
;
Big
;
QM
;
Free
;
energy perturbation
;
Continuum solvation
;
Bennett acceptance ratio
;
D3R
grand challenge
;
Blind
;
test competition
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
8.
Molecular docking performance evaluated on the
D3R
Grand Challenge 2015 drug-like ligand datasets
作者:
Edithe Selwa
;
Virginie Y. Martiny…
关键词:
Docking
;
Scoring function
;
Gold
;
Glide
;
Autodock
;
Heat Shock Protein 90
;
HSP90
;
Mitogen
;
Activated Protein Kinase Kinase Kinase Kinase 4
;
MAP4K4
;
D3R
Grand Challenge 2015
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
9.
Optimal strategies for virtual screening of induced-fit and flexible target in the 2015
D3R
Grand Challenge
作者:
Zhaofeng Ye
;
Matthew P. Baumgartner…
关键词:
Drug discovery
;
Virtual screening
;
D3R
;
Induced fit
;
Affinity ranking
;
Pose prediction
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
10.
Prospective evaluation of shape similarity based pose prediction method in
D3R
Grand Challenge 2015
作者:
Ashutosh Kumar
;
Kam Y. J. Zhang
关键词:
Shape similarity
;
Pose prediction
;
Molecular docking
;
Virtual screening
;
D3R
Grand Challenge 2015
刊名:Journal of Computer-Aided Molecular Design
出版年:2016
1
2
3
4
5
6
按检索点细分(53)
题名(21)
关键词(11)
文摘(47)
按出版年细分(53)
2016年(15)
2015年(1)
2014年(2)
2013年(7)
2012年(2)
2011年(3)
2010年(2)
2009年(3)
2007年(1)
2005年(3)
2004年(2)
2000年(2)
2000年及以前(10)
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
.