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兰州大学 [21]
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会议论文 [15]
期刊论文 [6]
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computer s... [4]
chemistry [3]
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浏览/检索结果:
共21条,第1-10条
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专题:兰州大学
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Protein structure prediction provides comparable performance to crystallographic structures in docking-based virtual screening
期刊论文
METHODS, 2015, 卷号: 71, 页码: 77-84
作者:
Du, HY
;
Brender, JR
;
Zhang, J
;
Zhang, Y
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/12/23
Virtual screening
Enrichment rate
Ligand docking
Protein structure prediction
A combination of pharmacophore modeling, virtual screening, and molecular docking studies for a diverse set of colchicine site inhibitors
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2014, 卷号: 23, 期号: 11, 页码: 4713-4723
作者:
Li, HH
;
Liu, T
;
Xuan, HX
;
Fang, SB
;
Zhao, CY
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/12/29
Colchicine binding site inhibitors
Pharmacophore
Virtual screening
Docking
Parallel process of virtual screening result file based on hadoop
会议论文
4th International Conference on Advances in Swarm Intelligence, ICSI 2013, Harbin, China, June 12, 2012 - June 15, 2012
作者:
Ma, Ning
;
Hu, Rongjing
;
Zhang, Ruisheng
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/01/18
Artificial intelligence
Data processing
Docking
Advanced technology
Bigdata
Combined method
Hadoop
Map-reduce
Parallel process
Small molecules
Virtual Screening
A similarity-based grouping method for molecular docking in distributed system
会议论文
9th International Conference on Advanced Data Mining and Applications, ADMA 2013, Hangzhou, China, December 14, 2013 - December 16, 2013
作者:
Zhang, Ruisheng
;
Liu, Guangcai
;
Hu, Rongjing
;
Wei, Jiaxuan
;
Li, Juan
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/18
Molecular modeling
Cluster analysis
Data processing
Database systems
Molecules
Cluster analysis methods
Computational chemistry software
Distributed platforms
Distributed systems
Hadoop platforms
Molecular docking
Molecular structural
Virtual Screening
Investigating the feasibility of making contexts explicit in designing cloud workflow
会议论文
2013 IEEE 27th International Parallel and Distributed Processing Symposium Workshops and PhD Forum, IPDPSW 2013, Boston, MA, United states, May 20, 2013 - May 24, 2013
作者:
Fan, Xiaoliang
;
Zhang, Ruisheng
;
Brezillon, Patrick
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/01/18
Design
Cloud computing
Distributed parameter networks
Cloud environments
Cloud workflow
context
Contextual graph
Design strategies
Virtual Screening
Workflow designs
Workflow process
Designing Contextualized Workflows in the Cloud
会议论文
International Conference on Advanced Cloud and Big Data (CDB), Jiangsu, PEOPLES R CHINA, DEC 13-15, 2013
作者:
Fan, XL
;
Teng, F
;
He, HW
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/18
cloud computing
workflow systems
context modeling
workflow as a service
virtual screening
QSAR Studies of PTP1B Inhibitors: Recent Advances and Perspectives
期刊论文
CURRENT MEDICINAL CHEMISTRY, 2012, 卷号: 19, 期号: 25
-
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2014/12/05
Diabetes mellitus
protein tyrosine phosphatase 1B inhibitors
type 2 diabetes
drug design
virtual screening
quantitative structure-activity relationships (QSAR)
3D-QSAR
comparative molecular field analysis (CoMFA)
comparative molecular similarity indices analysis (CoMSIA)
2D-QSAR
multiple linear regression (MLR)
radial basis function neural networks (RBFNN)
Integrating heterogeneous grid middleware to support large-scale bag-of-tasks applications
会议论文
7th ChinaGrid Annual Conference, ChinaGrid 2012, Beijing, China, September 20, 2012 - September 23, 2012
作者:
Zhao, Zhili
;
Li, Lian
;
Zhang, Ruisheng
;
Paschke, Adrian
;
Lin, Jiazao
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/01/20
Middleware
Integration
Bag-of-Tasks applications
Distributed resources
Drug discovery
Grid
GRID middleware
Grid systems
Novel architecture
Parallel application
Virtual Screening
Automated deployment mechanism for computational chemistry services in Cloud
期刊论文
Advances in Information Sciences and Service Sciences, 2012, 卷号: 4, 期号: 3, 页码: 83-90
作者:
Zhang, Ruisheng
;
Zhao, Chen
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2016/07/15
Computing environments
Computing model
Configuration modules
Customized services
Deployment mechanisms
Heavy workloads
Infrastructure as a service
Service provider
Software repositories
Virtual Screening
Hadoop MapReduce Framework to Implement Molecular Docking of Large-Scale Virtual Screening
会议论文
7th IEEE Asia-Pacific Services Computing Conference (APSCC), Guilin, PEOPLES R CHINA, DEC 06-08, 2012
作者:
Zhao, J
;
Zhang, RS
;
Zhao, ZL
;
Chen, DW
;
Hou, LJ
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2017/01/18
Hadoop
MapReduce
Large-Scale Virtual Screening
Molecular Docking
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