About: Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes

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About: Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes Goto Sponge NotDistinct Permalink

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scientific article published on 10 March 2020

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rdf:type	Item
description	wetenschappelijk artikel (nl) article scientifique publié en 2020 (fr) artículu científicu espublizáu en marzu de 2020 (ast) im März 2020 veröffentlichter wissenschaftlicher Artikel (de) scientific article published on 10 March 2020 (en) 2020 թվականի մարտի 10-ին հրատարակված գիտական հոդված (hy) artykuł naukowy opublikowany 10 marca 2020 (pl) наукова стаття, опублікована 10 березня 2020 (uk)
publication date	wds:Q90270983-5B2AFF04-8F73-4089-8FBD-55AFDBDCBB43
publication date	2020-03-10 00:00:00Z (xsd:dateTime)
cites work	wds:Q90270983-0942A61D-2894-47B9-B6B9-EBE4FF2D4610 wds:Q90270983-0D4BDFFD-0116-492B-B59F-D951A6736DCF wds:Q90270983-13B39416-595F-4972-831E-26A57CA4DBE1 wds:Q90270983-15C1CC42-4F45-4A04-A688-FC68F25E252C wds:Q90270983-27317715-5A8A-4F8C-9424-BFAD1BCD8F5A wds:Q90270983-29DA62CF-E26F-4AAC-8682-7D77C69AAC6A wds:Q90270983-35215F2B-6600-4C59-80A1-72694167DCFC wds:Q90270983-383D4715-7849-4BEC-BEDC-D7CB25CF4024 wds:Q90270983-4369B3CC-6987-4876-BC2A-A22CFDCC69FC wds:Q90270983-47E2EA25-3DC7-4361-B2A9-611DE37B6AC3 wds:Q90270983-5D759788-92AE-44E2-8294-D393C4CB34F1 wds:Q90270983-5EEB2BE8-FBAA-4256-A5EF-F1CA304CE092 wds:Q90270983-62A6D16D-C1E9-4898-A528-821239FCE854 wds:Q90270983-7A38F1F8-99FF-4ADE-B285-F267CD518206 wds:Q90270983-7DEAE99F-BB67-4165-80E6-7F49C2565858 wds:Q90270983-8D1D64C7-FB19-444E-9A1D-AD2FB576F669 wds:Q90270983-8EBD8C43-56FF-4DF2-B4AE-E4F3638FD0B1 wds:Q90270983-90C807D0-EF9B-4E3E-BFBC-F729FA348BC7 wds:Q90270983-9D6CA9EC-190C-4B24-98B2-A095D1D7F029 wds:Q90270983-9E4C5AF3-3115-4714-8B26-E238D11FE20B wds:Q90270983-AF29951D-8E2B-48B2-957E-141069082EDD wds:Q90270983-BC88F366-5B09-40A3-9442-D722F0846DBD wds:Q90270983-CA09A0AC-99C3-4EDB-945F-EB1AE10742F3 wds:Q90270983-CC49C12B-3DB2-484A-89AB-69EDA33FE57D wds:Q90270983-CD7DB2F0-7939-4961-B807-EB210AE41F09 wds:Q90270983-D0A92674-3A3E-4CBF-8B7B-34D79B772C6E wds:Q90270983-D5B1A0BB-C1A0-4754-B053-87136BD2D370 wds:Q90270983-D97824BB-9DE0-40E7-BFDC-0F297E52A07E wds:Q90270983-DDD1BD62-F36E-4C5E-A25F-DC254FAF73F8 wds:Q90270983-E3A2FAAB-C992-4E4A-92B2-2BCC5479CBBC wds:Q90270983-EE49F071-ECBC-4DB5-9E16-15FC1CAFD591 wds:Q90270983-EF4B37FE-67E5-4A2A-B5C5-393374A91DF0 wds:Q90270983-FAE18067-60B4-41E4-90B5-648B695D8AB5
cites work	The MARTINI force field: coarse grained model for biomolecular simulations Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models. A small molecular size system giving unexpected surface effects: alpha-Cyclodextrin + sodium dodecyl sulfate in water. Cyclodextrin-based self-assembled nanotubes at the water/air interface. Structures of the Common Cyclodextrins and Their Larger Analogues-Beyond the Doughnut. The hydrophobic effect and the organization of living matter Force fields for protein simulations Definition and testing of the GROMOS force-field versions 54A7 and 54B7 Canonical sampling through velocity rescaling Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB. MDAnalysis: a toolkit for the analysis of molecular dynamics simulations Development and testing of a general amber force field Automatic atom type and bond type perception in molecular mechanical calculations Computational microscopy of cyclodextrin mediated cholesterol extraction from lipid model membranes Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning Water Dynamics in the Hydration Shells of Biomolecules Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer Lipid Bilayer Membrane Perturbation by Embedded Nanopores: A Simulation Study. Molecular Dynamics Simulation for All Highly viscoelastic films at the water/air interface: α-Cyclodextrin with anionic surfactants Computational Modeling of Realistic Cell Membranes Evaluating Force Field Performance in Thermodynamic Calculations of Cyclodextrin Host-Guest Binding: Water Models, Partial Charges, and Host Force Field Parameters Similarities and differences between cyclodextrin-sodium dodecyl sulfate host-guest complexes of different stoichiometries: molecular dynamics simulations at several temperatures. Hydration properties of α-, β-, and γ-cyclodextrins from molecular dynamics simulations Real Cost of Speed: The Effect of a Time-Saving Multiple-Time-Stepping Algorithm on the Accuracy of Molecular Dynamics Simulations. Cyclodextrin stabilised emulsions and cyclodextrinosomes Giant capsids from lattice self-assembly of cyclodextrin complexes GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps. Complex Behavior of Aqueous α-Cyclodextrin Solutions. Interfacial Morphologies Resulting from Bulk Aggregation. Density artefacts at interfaces caused by multiple time-step effects in molecular dynamics simulations. Surface adsorption and bulk aggregation of cyclodextrins by computational molecular dynamics simulations as a function of temperature: α-CD vs β-CD Accelerating Membrane Simulations with Hydrogen Mass Repartitioning
author name string	wds:Q90270983-958D4067-DC6F-42F8-9F33-B91348A9C790 wds:Q90270983-B96CA824-54B5-488A-B2C9-95EF848A1E06
author name string	Rebeca Garcia-Fandiño Pablo F Garrido
rdfs:label	Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes (en) Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes (nl)
skos:prefLabel	Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes (en) Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes (nl)
name	Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes (en) Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes (nl)
author	wds:Q90270983-E9769A63-3FB3-44F1-BE51-8434BD832937 wds:Q90270983-EF41CF54-B444-434A-83F3-B7F4BBCE8131
author	Ángel Piñeiro Martín Calvelo
title	wds:Q90270983-442DBB62-8ACF-4077-BB47-48D10EEAA0C6
title	Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes (en)
instance of	wds:Q90270983-88D8B145-7866-4198-A75F-D9879AC45611
instance of	scholarly article
PubMed ID	wds:Q90270983-8043CCE4-8126-4320-9625-6AE3ED3DB349
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/32164358
PubMed ID	32164358
published in	wds:Q90270983-7E78B7D2-5DDF-45D3-B615-401BEB805C5C
published in	Biomolecules

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