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在“Elsevier电子期刊”中，命中：1,366条，耗时：0.0289877 秒

在所有数据库中总计命中：3,203条

1.Novel butyrylcholinesterase inhibitors through pharmacophore modeling, virtual screening and DFT-based approaches along-with design of bioisosterism-based analogues

作者：Dhrubajyoti Gogoi^a ; Amrita Kashyap Chaliha^b ; Diganta Sarma^c ; Bibhuti Bhusan Kakoti^a ; Alak Kumar Buragohain^b ; ^{alakkrburagohain@gmail.com} ; ^{alak@dibru.ac.in}

关键词：Butyrylcholinesterase (BChE) ; Pharmacophore modeling ; Molecular docking ; ADMET ; DFT

刊名：Biomedicine & Pharmacotherapy

出版年：2017

2.Extended virtual in-situ calibration method in building systems using Bayesian inference

作者：Sungmin Yoon ; Yuebin Yu ; ^{yuebinyu@gmail.com}

关键词：Building systems ; Sensor calibration ; Virtual in-situ calibration ; Bayesian inference ; Markov Chain Monte Carlo ; Absorption refrigeration

刊名：Automation in Construction

出版年：2017

3.Numerical modelling of Nomex honeycomb sandwich cores at meso-scale level

作者：Ralf Seemann ; ^{ralf.seemann@tuhh.de" class="auth_mail" title="E-mail the corresponding author} ; Dieter Krause

关键词：Nomex honeycomb ; Phenolic resin ; Explicit FEA ; Virtual testing

刊名：Composite Structures

出版年：2017

4.Standardization from a benchtop to a handheld NIR spectrometer using mathematically mixed NIR spectra to determine fuel quality parameters

作者：Neirivaldo Cavalcante da Silva^a ; Clá ; udia Jé ; ssica Cavalcanti^b ; Fernanda Araú ; jo Honorato^b ; Jose Manuel Amigo^c ; Maria Fernanda Pimentel^b ; ^mfp@ufpe.br ; ^{mfernanda.pimentel@gmail.com}

关键词：Reverse standardization ; Virtual standards ; Near infrared ; Handheld spectrometer ; Fuel

刊名：Analytica Chimica Acta

出版年：2017

5.Building a Virtual Ecosystem Dynamic Model for Root Research

作者：Yang Xu^a ; ^c ; ^{yxu30@vols.utk.edu} ; ^{yangxu@smart.mit.edu} ; Dali Wang^b ; ^{wangd@ornl.gov} ; Colleen M. Iversen^b ; ^{iversencm@ornl.gov} ; Anthony Walker^b ; ^alp@ornl.gov ; Jeff Warren^b ; ^{warrenjm@ornl.gov}

关键词：Functional test framework ; Community Land Model ; Root function ; Ecosystem processes

刊名：Environmental Modelling & Software

出版年：2017

6.Intrusion detection techniques in cloud environment: A survey

作者：Preeti Mishra^a ; Emmanuel S. Pilli^a ; ^{espilli.cse@mnit.ac.in" class="auth_mail" title="E-mail the corresponding author} ; Vijay Varadharajan^b ; Udaya Tupakula^b

关键词：Intrusion detection ; Cloud security ; Virtual machine introspection ; Hypervisor introspection ; Cloud attacks

刊名：Journal of Network and Computer Applications

出版年：2017

7.Identification of natural allosteric inhibitor for Akt1 protein through computational approaches and in vitro evaluation

作者：T. Pragna Lakshmi^a ; ^{pragnapcu@gmail.com} ; Amit Kumar^a ; ^{amit.kumar10nov@gmail.com} ; Veena Vijaykumar^b ; ^{btveenavijaykumar@gmail.com} ; Sakthivel Natarajan^b ; ^{puns2005@gmail.com} ; Ramadas Krishna^a ; ^{krishstrucbio@gmail.com}

关键词：PKB ; protein kinase B ; CPH ; common pharmacophore hypothesis ; RMSE ; root mean-square error ; PLS ; partial least-squares ; QSAR ; quantitative structure-activity relationship ; TCM ; traditional Chinese medicine ; HTVS ; high-throughput virtual screening ; SP ; standard precision ; XP ; extra precision ; DFT ; density functional theory ; HOMO ; higher occupied frontier orbitals ; LUMO ; lower unoccupied frontier orbitals ; MDS ; molecular dynamic simulations

刊名：International Journal of Biological Macromolecules

出版年：2017

8.Distributed optimization approaches for emerging power systems operation: A review

作者：Yamin Wang^a ; Shouxiang Wang^b ; Lei Wu^a ; ^{lwu@clarkson.edu}

关键词：ADMM ; alternating direction method of multipliers ; AOP ; alternating optimization procedure ; ATC ; analytical target cascading ; APP ; auxiliary problem principle ; BD ; benders decomposition ; DR ; demand response ; ED ; economic dispatch ; ISO ; independent system operator ; NYISO ; New York ISO ; CASIO ; California ISO ; ISONE ; ISO New England ; MISO ; Midcontinent ISO ; HPC ; high performance computing ; RTO ; regional transmission organizations ; PVM ; parallel virtual machine ; MPI ; message passing interface ; GPU

刊名：Electric Power Systems Research

出版年：2017

9.Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies

作者：Shivendra Pratap ; Pooja Kesari ; Ravi Yadav ; Aditya Dev ; Manju Narwal ; Pravindra Kumar ; ^{pravshai@gmail.com}

关键词：UDP-N-acetylglucosamine acyltransferase ; Crystal structure ; Hydrocarbon ruler ; Virtual screening ; Acyl carrier protein

刊名：International Journal of Biological Macromolecules

出版年：2017

10.Virtual special issue: Advanced theoretical and numerical approaches and applications to enhanced gas recovery

作者：Jianchao Cai ; ^{caijc@cug.edu.cn} (Managing Guest Editor & JNGSE Associate Editor)

刊名：Journal of Natural Gas Science and Engineering

出版年：2017

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