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CNKI学位论文(250)
知网期刊论文(66)
在“
SpringerLink电子期刊
”中,
命中:
37
条,耗时:0.0179865 秒
在所有数据库中总计命中:
316
条
1.
Pharmacoinformatics and molecular docking studies reveal potential novel Proline Dehydrogenase (PRODH) compounds for Schizophrenia inhibition
作者:
Sheikh Arslan Sehgal
关键词:
Schizophrenia
;
Pharmacophore identification
;
Structure prediction and molecular Docking
;
PRODH
;
Virtual screening
;
Computer
;
aided
drug
designing
刊名:Medicinal Chemistry Research
出版年:2017
2.
Designing
QSAR Models for Promising TLR4 Agonists Isolated from
Euodia Asteridula
by Artificial Neural Networks Enhanced by Optimal Brain Surgeon
关键词:
QSAR
;
Euodenine A
;
ANN
;
Pruning
;
OBS
;
Molecular descriptors
刊名:Lecture Notes in Computer Science
出版年:2016
3.
Screening of potential targets in Plasmodium falciparum using stage-specific metabolic network analysis
作者:
Neel Dholakia
;
Pinakin Dhandhukia
;
Nilanjan Roy
关键词:
Plasmodium falciparum
;
Ornithine decarboxylase
;
Comparative docking
;
In silico
drug
design
;
Computer
;
aided
drug
design
;
Malaria
刊名:Molecular Diversity
出版年:2015
4.
Targeting the cyclin-binding groove site to inhibit the catalytic activity of CDK2/cyclin A complex using p27KIP1-derived peptidomimetic inhibitors
作者:
Arumugasamy Karthiga (1)
Sunil Kumar Tripathi (1)
Ramasamy Shanmugam (2)
Venkatesan Suryanarayanan (1)
Sanjeev Kumar Singh (1)
1. Computer
Aided
Drug
Designing
and Molecular Modeling Lab
;
Department of Bioinformatics
;
Alagappa University
;
Karaikudi
;
630 003
;
Tamil Nadu
;
India
2. Department of Chemistry
;
Thiagarajar College
;
Madurai
;
625009
;
Tamil Nadu
;
India
关键词:
Protein鈥損rotein interaction
;
Cyclin
;
binding groove
;
Peptidomimetic inhibitor
;
Molecular docking
;
MD simulation
刊名:Journal of Chemical Biology
出版年:2015
5.
Parallel Flexible Molecular Docking in Computational Chemistry on High Performance Computing Clusters
关键词:
Molecular docking
;
Virtual screening
;
HPC
;
AutoDock vina
刊名:Lecture Notes in Computer Science
出版年:2015
6.
Does tautomerism influence the outcome of QSAR modeling?
作者:
Vijay H. Masand (1)
Devidas T. Mahajan (1)
Taibi Ben Hadda (2)
Rahul D. Jawarkar (3)
Ahmed M. Alafeefy (4)
Vesna Rastija (5)
Mohamed Ashraf Ali (6)
关键词:
Tautomerism
;
QSAR
;
Statistical robustness
;
Stepwise regression
;
Genetic algorithm
刊名:Medicinal Chemistry Research
出版年:2014
7.
Antihistamine response: a dynamically refined function at the host-tick interface
作者:
James J Valdés
关键词:
Dynamics
;
Histamine
;
Lipocalin
;
Competitive binding
;
Tick saliva
;
Ticks
刊名:Parasites & Vectors
出版年:2014
8.
WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets
作者:
Jacob D Durrant
;
Rommie E Amaro
关键词:
Bioinformatics
;
Data sharing
;
Collaborative tools
;
Molecular structures
;
HTML
刊名:BMC Bioinformatics
出版年:2014
9.
In silico screening for identification of novel HIV-1 integrase inhibitors using QSAR and docking methodologies
作者:
Pawan Gupta (1)
Prabha Garg (1)
Nilanjan Roy (2)
关键词:
HIV
;
1 IN
;
Shape based screening
;
Toxicity
;
ADME
;
QSAR predictions
;
Docking
刊名:Medicinal Chemistry Research
出版年:2013
10.
Identification of common inhibitors of wild-type and T315I mutant of BCR-ABL through the parallel structure-based virtual screening
作者:
Hwangseo Park (1) hspark@sejong.ac.kr
Seunghee Hong (2)
Sungwoo Hong (2) hongorg@kaist.ac.kr
关键词:
Virtual screening –
;
Drug
discovery –
;
Docking –
;
BCR
;
ABL –
;
Common inhibitor
刊名:Journal of Computer-
Aided
Molecular Design
出版年:2012
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