搜索页_+NVT

设为首页

收藏本站

网站地图 | English | 公务邮箱

NSTL服务站

外文资源

Elsevier电子期刊(252)

在“Elsevier电子期刊”中，命中：252条，耗时：小于0.01 秒

在所有数据库中总计命中：252条

1.Use of molecular dynamics simulations to estimate the solubility of menadione in supercritical CO₂ using Chrastil's model

作者：Andrea G. Reveco-Chilla^a ; Loreto M. Valenzuela^a ; ^{lvalenzr@ing.puc.cl} ; José ; M. del Valle^a ; Edward J. Maginn^b

关键词：Chrastil equation ; Molecular dynamics ; NVT ensemble ; Residence time ; Vitamin K3

刊名：Fluid Phase Equilibria

出版年：2017

2.Structure based virtual screening identifies Pranlukast as a potential inhibitor against Plasmodium falciparum Adenosine Deaminase enzyme

作者：Arun Bahadur Gurung ; Atanu Bhattacharjee ; ^{atanubioinfo@gmail.com}

关键词：ADA ; Adenosine Deaminase ; MD ; molecular dynamics ; DEG ; Database of Essential Genes ; ROF ; Lipinski's rule of five ; MW ; molecular weight ; clogP ; Octanol-water partition co-efficient ; HBD ; hydrogen bond donor ; HBA ; hydrogen bond acceptor ; NVT ; Number of particles ; Volume and Temperature ; NPT ; Number of particles ; Pressure and Temperature ; RMSD ; root mean square deviation ; RMSF ; root mean square fluctuation ; Rg ; radius of gyration ; SASA ; solvent accessible surface area ; NHBs ; number of intra-molecul

刊名：Gene Reports

出版年：2017

3.Biofilm characteristics in natural ventilation trickling filters (NVTFs) for municipal wastewater treatment: Comparison of three kinds of biofilm carriers

作者：Xinying Zhang^a ; ^{xyz_8471@163.com" class="auth_mail" title="E-mail the corresponding author} ; Jie Li^a ; Yangbo Yu^a ; Ranran Xu^a ; Zhichao Wu^b

关键词：Natural ventilation trickling filters ; Biofilm ; Carriers ; Zeolite ; Microorganism ; Wastewater treatment

刊名：Biochemical Engineering Journal

出版年：2016

4.Free energy based melting point prediction by NVT simulation with solid-liquid two-phase configuration

作者：Taichi Inagaki^a ; ^{inagaki@ncube.human.nagoya-u.ac.jp" class="auth_mail" title="E-mail the corresponding author} ; Toyokazu Ishida^b ; ^c ; ^{toyokazu.ishida@aist.go.jp" class="auth_mail" title="E-mail the corresponding author}

关键词：Melting point ; Solid-liquid free energy difference ; Molecular dynamics simulation ; Argon ; Benzene ; Mannitol

刊名：Chemical Physics Letters

出版年：2016

5.Molecular dynamics simulation for self-diffusion coefficients of ginger bioactive compounds in subcritical water with and without ethanol

作者：Nor Ilia Anisa^a ; ^b ; Noor Azian Morad^a ; ^b ; ^{azian.morad@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Yoshio Iwai^c ; Mohd Halim Shah Ismail^d

关键词：OPLS/AA ; all-atom optimised-potentials ; SPC/E ; extended simple point charge ; MD ; molecular dynamics ; NPT ; isothermal&ndash ; isobaric ensemble ; NVT ; canonical ensemble ; MSD ; mean squared displacement ; SD ; standard deviation ; ANOVA ; analysis of variance ; RDF ; radial distribution function

刊名：Fluid Phase Equilibria

出版年：2016

6.Theoretical investigations on the interactions of glucokinase regulatory protein with fructose phosphates

作者：Baoping Ling ; ^{baopingling@mail.qfnu.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Xueyuan Yan ; Min Sun ; Siwei Bi ; ^{siweibi@126.com" class="auth_mail" title="E-mail the corresponding author}

关键词：GK ; glucokinase ; GKRP ; glucokinase regulatory protein ; F1P ; fructose 1-phosphate ; F6P ; fructose 6-phosphate ; SIS ; sugar isomerase ; PDB ; Protein Data Bank ; MD ; molecular dynamics ; ED analysis ; essential dynamics analysis ; PCA ; principle component analysis ; NVT ; constant volume ; NPT ; constant pressure ; SPC ; simple point charge ; PME ; particle-mesh Ewald ; RMSD ; root mean square deviation ; RMSF ; root mean square fluctuation ; RMSIP ; root mean square inner product ; MM-PBSA ; molecular mechanics Poisson

刊名：Computational Biology and Chemistry

出版年：2016

7.NQO1 rs1800566 polymorph is more prone to NOx induced lung injury: Endorsing deleterious functionality through informatics approach

作者：Zarrin Basharat^a ; ^{zarrin.iiui@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Abdelmonaem Messaoudi^b ; Sehrish Ruba^c ; Azra Yasmin^a

关键词：WT ; Wild type ; NQO1 ; NAD(P)H ; quinone oxidoreductase 1 ; RMSD ; Root mean square deviation ; CUPSAT ; Cologne University Protein Stability Analysis Tool ; ΔΔG ; unfolding energy ; PDB ; Protein data bank ; MOE ; Molecular Operating Environment ; NPA ; Nosé ; -Poincaré ; -Anderson ; NVT ; N&ndash ; number of atoms ; V&ndash ; volume ; T&ndash ; temperature ; MD ; molecular dynamics ; ps ; picosecond ; SPDViewer ; Swiss PDB viewer

刊名：Gene

出版年：2016

8.Impact of the introduction of the pneumococcal conjugate vaccine in the Brazilian routine childhood national immunization program

作者：Marta Moreira^a ; ^{marta.x.moreira@gsk.com" class="auth_mail" title="E-mail the corresponding author} ; Otavio Cintra^b ; Julie Harriague^c ; William P. Hausdorff^a ; Bernard Hoet^a

关键词：AOM ; acute otitis media ; CI ; confidence interval ; CVE ; Centro de Vigilâ ; ncia Epidemioló ; gica ; IAL ; Instituto Adolfo Lutz ; IPD ; invasive pneumococcal disease ; NS ; statistically non-significant ; NTHi ; non-typeable Haemophilus influenzae ; NVT ; non-vaccine type ; PCV ; pneumococcal conjugate vaccine ; PHiD-CV ; pneumococcal Haemophilus influenzae protein D conjugate vaccine ; PM ; pneumococcal meningitis ; RCTs ; randomized controlled trials ; SINAN ; Notifiable Diseases Information System ; VE ; vac

刊名：Vaccine

出版年：2016

9.Effects of thermal and electric fields on soybean trypsin inhibitor protein: A molecular modelling study

作者：Brinda Harish Vagadia^a ; ^{brinda.vagadia@mail.mcgill.ca" class="auth_mail" title="E-mail the corresponding author} ; Sai Kranthi Vanga^a ; Ashutosh Singh^b ; Vijaya Raghavan^a

关键词：MD ; molecular dynamics ; SASA ; Solvent Accessible Surface Area ; RMSD ; Root Mean Square Deviation ; STI ; Soybean Trypsin Inhibitor ; KTI ; Kunitz-type Trypsin Inhibitor ; NMR ; Nuclear Magnetic Resonance Imaging ; VMD ; Visual Molecular Dynamics ; FTIR ; Fourier Transformation Infrared Spectroscopy ; PDB ; Protein Data Base ; PME ; Particle Mesh Ewald ; NVT ; ensemble in which number of atoms ; volume and temperature are constant ; NPT ; ensemble in which number of atoms ; pressure and temperature are constant ; DSSP

刊名：Innovative Food Science & Emerging Technologies

出版年：2016

10.Bisphenol A glucuronide deconjugation is a determining factor of fetal exposure to bisphenol A

关键词：Bisphenol A ; Bisphenol A glucuronide ; Hydrolysis ; Fetus ; Toxicokinetic

刊名：Environment International

出版年：2016

按检索点细分(252)

题名(4)

作者(2)

关键词(28)

文摘(228)

按出版年细分(252)

2027年及以后(7)

2017年(2)

2016年(17)

2015年(2)

2013年(16)

2012年(19)

2011年(13)

2010年(15)

2009年(13)

2008年(25)

2007年(27)

2006年(9)

2005年(9)

2004年(10)

2003年(7)

2002年(7)

2001年(5)

2000年(7)

2000年及以前(42)

地址：北京市海淀区学院路29号邮编：100083

电话：办公室：(+86 10)66554848；文献借阅、咨询服务、科技查新：66554700