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Elsevier电子期刊(12)

在“Elsevier电子期刊”中，命中：12条，耗时：0.093955 秒

在所有数据库中总计命中：17条

1.Molecular simulations of polyamide membrane materials used in desalination and water reuse applications: Recent developments and future prospects

作者：Harry F. Ridgway^a ; ^b ; ^{ridgway@vtc.net} ; John Orbell^a ; Stephen Gray^a

关键词：Å ; Angstrom ; AFM ; atomic force microscopy ; AMBER ; Assisted Model Building and Energy Refinement R. Salomon-Ferrer ; D.A. Case ; R.C. Walker ; An overview of the Amber biomolecular simulation package ; WIREs Comput. Mol. Sci. 3 (2012) 198&ndash ; 210 ; BSA ; Bovine serum albumin ; CA ; cellulose acetate ; CHARMM ; Chemistry at Harvard Molecular Mechanics ; MD code originally developed by Martin Karplus ; Harvard University ; CN ; cellulose nitrate ; CNT ; carbon nanotube ; CVFF ; Consistent Valence Force Field

刊名：Journal of Membrane Science

出版年：2017

2.Apomorphine and its esters: Differences in Caco-2 cell permeability and chylomicron affinity

关键词：ANOVA ; analysis of variance ; CHARMM ; chemistry at Harvard Macromolecular Mechanics ; CM ; chylomicron ; DLA ; dilauroyl apomorphine ; DPA ; dipalmitoyl apomorphine ; HBSS ; Hank&rsquo ; s buffered salt solution ; HEPES ; N-[2-hydroxyethyl]piperazine-N&prime ; -[2-ethanosulfonate] ; 1H-NMR ; proton nuclear magnetic resonance ; HPLC ; high performance liquid chromatography ; LC/MS ; liquid chromatography-mass spectrometry ; LOD ; Limit of detection ; LOQ ; Limit of quantification ; MD ; molecular dynamics ; MES ; 2-(N-morpho

刊名：International Journal of Pharmaceutics

出版年：2016

3.Mechanical recruitment of N- and C-crosslinks in collagen type I

作者：Albert L. Kwansa^a ; ^b ; Raffaella De Vita^b ; Joseph W. Freeman^a ; ^c ; ^{joseph.freeman@rutgers.edu" class="auth_mail}

关键词：伪 ; alpha value ; ANOVA ; analysis of variance ; C伪 ; alpha carbon ; CHARMM/CHARMm ; Chemistry at HARvard Molecular Mechanics ; deH-HLNL ; dehydro-hydroxylysino-norleucine ; deH-LNL ; dehydro-lysino-norleucine ; ECM ; extracellular matrix ; GBIS ; generalized Born implicit solvent ; NAMD ; NAnoscale Molecular Dynamics ; P ; p-value ; RMS ; root-mean-square ; SMD ; steered molecular dynamics ; TCL ; tool command language ; VMD ; Visual Molecular Dynamics

刊名：Matrix Biology

出版年：February 2014

4.PIM: Phase Integrated Method for Normal Mode Analysis of Biomolecules in a Crystalline Environment

作者：Mingyang Lu¹ ; Jianpeng Ma¹ ; ² ; ^{jpma@bcm.tmc.edu}

关键词：MNM ; minimalist network model ; PIM ; phase integrated method ; NMA ; normal mode analysis ; CHARMM ; Chemistry at HARvard Molecular Mechanics ; ENM ; elastic network model ; MGR ; NMA with molecular geometry restraint ; ADP ; anisotropic displacement parameter ; AU

刊名：Journal of Molecular Biology

出版年：2013

5.A quantum chemical study of the processes during the evaporation of real-life Diesel fuel droplets

作者：Vladimir M. Gun¡¯ko ; Rasoul Nasiri ; Sergei S. Sazhin ; Fabrice Lemoine ; Frederic Grisch

关键词：AO ; Atomic Orbital ; B3LYP ; Exchange-correlation functional in DFT ; CCSD ; Coupled-Cluster with Single and Double Excitations ; CharMM ; Chemistry at HARvard Molecular Mechanics ; COSMO ; Conductor-like Screening Model ; DRC ; Dynamic reaction coordinate ; DFT ; De

刊名：Fluid Phase Equilibria

出版年：2013

6.Molecular simulations and solid-state NMR investigate dynamical structure in rhodopsin activation

作者：Blake Mertz^a ; Andrey V. Struts^a ; ^b ; Scott E. Feller^c ; Michael F. Brown^a ; ^d ; ^{mfbrown@u.arizona.edu}

关键词：CHARMM ; Chemistry at Harvard Macromolecular Mechanics ; EPR ; electron paramagnetic resonance ; FTIR ; Fourier transform infrared ; GPCR ; G protein-coupled receptor ; MD ; molecular dynamics ; Meta I ; metarhodopsin I ; Meta II ; metarhodopsin II ; 2MBD ; 2-methyl-but

刊名：Biochimica et Biophysica Acta (BBA)/Biomembranes

出版年：2012

7.Evaluation of structural features in fungal cytochromes P450 predicted to rule catalytic diversification

作者：Peter Hlavica ; ^{hlavica@lrz.uni-muenchen.de}

关键词：AT ; aminotetralines ; BFZ ; bifonazole ; BH ; benzoheterocycles ; BP ; benzopyrones ; CHARMM ; Chemistry at HARvard Macromolecular Mechanics ; CoMFA ; comparative molecular field analysis ; CPR ; NADPH-cytochrome P450 oxidoreductase ; CR ; chromanes ; CTZ ; clotrimazole

刊名：Biochimica et Biophysica Acta - Proteins and Proteomics

出版年：2013

8.Molecular dynamics simulations of matrix assisted laser desorption ionization: Matrix–analyte interactions

作者：Shivangi Nangia ; ^a ; ^{sxn225@psu.edu"" rel=""nofollow} ; Barbara J. Garrison^a

关键词：MALDI ; Molecular dynamics (MD) simulations ; CHARMM ; Amino acid (AA) ; 2 ; 5-Dihydroxybenzoic acid (DHB) ; Binding energy (BE)

刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

出版年：2011

9.Characterization and quantification of the role of coherence in ultrafast quantum biological experiments using quantum master equations, atomistic simulations, and quantum process tomography

作者：Patrick Rebentrost¹ ; Sangwoo Shim¹ ; Joel Yuen-Zhou¹ ; Alan Aspuru-Guzik ; ; ; ^{aspuru@chemistry.harvard.edu}

关键词：Exciton transfer ; photosynthesis ; Fenna-Matthews-Olson protein complex ; quantum coherence ; molecular dynamics ; quantum process tomography

刊名：Procedia Chemistry

出版年：2011

10.Molecular Dynamics Simulations of a DMPC Bilayer Using Nonadditive Interaction Models

作者：Joseph E. Davis ; Obaidur Rahaman ; S ; eep Patel

刊名：Biophysical Journal

出版年：2009

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