UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 33

Sortiert nach

Investigating Biomolecules in Deep Eutectic Solvents with Molecular Dynamics Simulations: Current State, Challenges and Future Perspectives

Molecules (Basel, Switzerland), 2024-02, Vol.29 (3), p.703

2024

Link zum Volltext

Verfügbarkeit prüfen

Solubilization in Mixed Micelles Studied by Molecular Dynamics Simulations and COSMOmic

The journal of physical chemistry. B, 2014-04, Vol.118 (13), p.3593-3604

2014

Link zum Volltext

Verfügbarkeit prüfen

Prediction of Micelle/Water and Liposome/Water Partition Coefficients Based on Molecular Dynamics Simulations, COSMO-RS, and COSMOmic

Langmuir, 2013-03, Vol.29 (11), p.3527-3537

2013

Link zum Volltext

Verfügbarkeit prüfen

A novel approach to calculate protein adsorption isotherms by molecular dynamics simulations

Journal of Chromatography A, 2020-06, Vol.1620, p.460940, Article 460940

2020

Link zum Volltext

Verfügbarkeit prüfen

Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution

The journal of physical chemistry. B, 2018-02, Vol.122 (5), p.1608-1626

2018

Link zum Volltext

Verfügbarkeit prüfen

Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system

The Journal of chemical physics, 2005-04, Vol.122 (16), p.164705-164705

2005

Link zum Volltext

Verfügbarkeit prüfen

Combination of COSMOmic and molecular dynamics simulations for the calculation of membrane-water partition coefficients

Journal of computational chemistry, 2013-06, Vol.34 (15), p.1332-1340

2013

Link zum Volltext

Verfügbarkeit prüfen

Molecular simulation of alkene adsorption in zeolites

Molecular physics, 2005-02, Vol.103 (4), p.471-489

2005

Link zum Volltext

Verfügbarkeit prüfen

Impact of deep eutectic solvents (DESs) and individual DES components on alcohol dehydrogenase catalysis: connecting experimental data and molecular dynamics simulations

Green chemistry : an international journal and green chemistry resource : GC, 2022-02, Vol.24 (3), p.1120-1131

2022

Link zum Volltext

Verfügbarkeit prüfen

Comparison and Validation of Force Fields for Deep Eutectic Solvents in Combination with Water and Alcohol Dehydrogenase

Journal of chemical theory and computation, 2021-08, Vol.17 (8), p.5322-5341

2021

Link zum Volltext

Verfügbarkeit prüfen

Shedding light on the puzzle of drug-membrane interactions: Experimental techniques and molecular dynamics simulations

Progress in lipid research, 2017-01, Vol.65, p.24-44

2017

Link zum Volltext

Verfügbarkeit prüfen

Molecular dynamics simulations of various micelles to predict micelle water partition equilibria with COSMOmic: Influence of micelle size and structure

Fluid phase equilibria, 2016-08, Vol.422, p.43-55

2016

Link zum Volltext

Verfügbarkeit prüfen

Quantitative Chemical Mapping of Pt/Rh Gauze Catalysts for Ammonia Oxidation using Resonant X‑ray Tomography

Journal of physical chemistry. C, 2024-03, Vol.128 (12), p.5053-5063

2024

Link zum Volltext

Verfügbarkeit prüfen

Molecular Dynamics Simulations of a Binary Protein Mixture Adsorption onto Ion-Exchange Adsorbent

Industrial & engineering chemistry research, 2015-03, Vol.54 (10), p.2794-2802

2015

Link zum Volltext

Verfügbarkeit prüfen

Molecular Dynamics Simulation of SDS and CTAB Micellization and Prediction of Partition Equilibria with COSMOmic

Langmuir, 2013-09, Vol.29 (37), p.11582-11592

2013

Link zum Volltext

Verfügbarkeit prüfen

Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures

Chembiochem : a European journal of chemical biology, 2020-03, Vol.21 (6), p.811-817

2020

Link zum Volltext

Verfügbarkeit prüfen

Metronidazole within phosphatidylcholine lipid membranes: New insights to improve the design of imidazole derivatives

European journal of pharmaceutics and biopharmaceutics, 2018-08, Vol.129, p.204-214

2018

Link zum Volltext

Verfügbarkeit prüfen

Resolving gradients in an ammonia oxidation reactor under industrial conditions: A combined experimental and simulation study

Chemical engineering journal (Lausanne, Switzerland : 1996), 2022-07, Vol.439, p.135350, Article 135350

2022

Link zum Volltext

Verfügbarkeit prüfen

Influence of d-glucose as additive on thermodynamics and physical properties of aqueous surfactant two-phase systems for the continuous micellar extraction

Chemical engineering research & design, 2017-05, Vol.121, p.149-162

2017

Link zum Volltext

Verfügbarkeit prüfen

Interface-Mediated Mechanism of ActionThe Root of the Cytoprotective Effect of Immediate-Release Omeprazole

Journal of medicinal chemistry, 2021-04, Vol.64 (8), p.5171-5184

2021

Link zum Volltext

Verfügbarkeit prüfen

Thermodynamic and Transport Properties Modeling of Deep Eutectic Solvents: A Review on g E -Models, Equations of State, and Molecular Dynamics

Journal of chemical and engineering data, 2020-03, Vol.65 (3), p.943-967

2020

Link zum Volltext

Verfügbarkeit prüfen

Can cloud point-based enrichment, preservation, and detection methods help to bridge gaps in aquatic nanometrology?

Analytical and bioanalytical chemistry, 2016-11, Vol.408 (27), p.7551-7557

2016

Link zum Volltext

Verfügbarkeit prüfen

Unraveling Alcohol Dehydrogenase Catalysis in Organic–Aqueous Biphasic Systems Combining Experiments and Molecular Dynamics Simulations

ACS catalysis, 2022-08, Vol.12 (15), p.9171-9180

2022

Link zum Volltext

Verfügbarkeit prüfen

Molecular Simulations of Thermodynamic Properties for the System α‐Cyclodextrin/Alcohol in Aqueous Solution

Chemie ingenieur technik, 2017-10, Vol.89 (10), p.1306-1314

2017

Link zum Volltext

Verfügbarkeit prüfen

Accessing lipophilicity of drugs with biomimetic models: A comparative study using liposomes and micelles

European journal of pharmaceutical sciences, 2018-03, Vol.115, p.369-380

2018

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 33

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(33)
Mit Volltextzugriff
(32)

Publikationsform

Artikel
(33)

Sprache

Englisch
(33)
Japanisch
(4)

Erscheinungsjahr

n.n

Thema

Science & Technology
(29)
Chemistry
(17)
Physical Sciences
(17)
Chemistry, Physical
(12)
Technology
(11)
Molecular Dynamics
(10)
Engineering
(8)
Engineering, Chemical
(8)
Life Sciences & Biomedicine
(8)
Molecular Dynamics Simulation
(8)
Computer Simulation
(6)
Molecular Dynamics Simulations
(6)
Biochemistry & Molecular Biology
(5)
Chemistry, Multidisciplinary
(5)
Molekulardynamik
(5)
Physics
(5)
Physics, Atomic, Molecular & Chemical
(5)
Thermodynamics
(5)
Adsorption
(4)
Exact Sciences And Technology
(4)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Investigating Biomolecules in Deep Eutectic Solvents with Molecular Dynamics Simulations: Current State, Challenges and Future Perspectives

Solubilization in Mixed Micelles Studied by Molecular Dynamics Simulations and COSMOmic

Prediction of Micelle/Water and Liposome/Water Partition Coefficients Based on Molecular Dynamics Simulations, COSMO-RS, and COSMOmic

A novel approach to calculate protein adsorption isotherms by molecular dynamics simulations

Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution

Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system

Combination of COSMOmic and molecular dynamics simulations for the calculation of membrane-water partition coefficients

Molecular simulation of alkene adsorption in zeolites

Impact of deep eutectic solvents (DESs) and individual DES components on alcohol dehydrogenase catalysis: connecting experimental data and molecular dynamics simulations

Comparison and Validation of Force Fields for Deep Eutectic Solvents in Combination with Water and Alcohol Dehydrogenase

Shedding light on the puzzle of drug-membrane interactions: Experimental techniques and molecular dynamics simulations

Molecular dynamics simulations of various micelles to predict micelle water partition equilibria with COSMOmic: Influence of micelle size and structure

Quantitative Chemical Mapping of Pt/Rh Gauze Catalysts for Ammonia Oxidation using Resonant X‑ray Tomography

Molecular Dynamics Simulations of a Binary Protein Mixture Adsorption onto Ion-Exchange Adsorbent

Molecular Dynamics Simulation of SDS and CTAB Micellization and Prediction of Partition Equilibria with COSMOmic

Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures

Metronidazole within phosphatidylcholine lipid membranes: New insights to improve the design of imidazole derivatives

Resolving gradients in an ammonia oxidation reactor under industrial conditions: A combined experimental and simulation study

Influence of d-glucose as additive on thermodynamics and physical properties of aqueous surfactant two-phase systems for the continuous micellar extraction

Interface-Mediated Mechanism of ActionThe Root of the Cytoprotective Effect of Immediate-Release Omeprazole

Thermodynamic and Transport Properties Modeling of Deep Eutectic Solvents: A Review on g E -Models, Equations of State, and Molecular Dynamics

Can cloud point-based enrichment, preservation, and detection methods help to bridge gaps in aquatic nanometrology?

Unraveling Alcohol Dehydrogenase Catalysis in Organic–Aqueous Biphasic Systems Combining Experiments and Molecular Dynamics Simulations

Molecular Simulations of Thermodynamic Properties for the System α‐Cyclodextrin/Alcohol in Aqueous Solution

Accessing lipophilicity of drugs with biomimetic models: A comparative study using liposomes and micelles

Suchergebnisse filtern