UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Integration of Molecular Docking Analysis and Molecular Dynamics Simulations for Studying Food Proteins and Bioactive Peptides

Journal of agricultural and food chemistry, 2022-02, Vol.70 (4), p.934-943

2022

Volltextzugriff (PDF)

Atomic-level characterization of protein–protein association

Proceedings of the National Academy of Sciences - PNAS, 2019-03, Vol.116 (10), p.4244-4249

2019

Volltextzugriff (PDF)

Real-World Predictions from Ab Initio Molecular Dynamics Simulations

Multiscale Molecular Methods in Applied Chemistry, 2012, Vol.307, p.109-153

2012

Volltextzugriff (PDF)

The Amaryllidaceae alkaloid, montanine, is a potential inhibitor of the Trypanosoma cruzi trans-sialidase enzyme

Journal of biomolecular structure & dynamics, 2024-10, Vol.42 (17), p.8920-8936

2024

Volltextzugriff (PDF)

In silico structural characterization of Cytochrome c oxidase Subunit 1: A transmembrane protein from Aedes aegypti

Journal of vector borne diseases, 2021-04, Vol.58 (2), p.106-114

2021

Volltextzugriff (PDF)

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

Journal of computational chemistry, 2011-07, Vol.32 (10), p.2319-2327

2011

Volltextzugriff (PDF)

How cholesterol stiffens unsaturated lipid membranes

Proceedings of the National Academy of Sciences - PNAS, 2020-09, Vol.117 (36), p.21896-21905

2020

Volltextzugriff (PDF)

Computational simulations assessment of mutations impact on streptokinase (SK) from a group G streptococci with enhanced activity - insights into the functional roles of structural dynamics flexibility of SK and stabilization of SK-μplasmin catalytic complex

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (8), p.1944-1955

2019

Volltextzugriff (PDF)

MDSPACE: Extracting Continuous Conformational Landscapes from Cryo-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation

Journal of molecular biology, 2023-05, Vol.435 (9), p.167951-167951, Article 167951

2023

Volltextzugriff (PDF)

Rationally designed peptide nanosponges for cell-based cancer therapy

Nanomedicine, 2017-11, Vol.13 (8), p.2555-2564

2017

Volltextzugriff (PDF)

In-silico study MM/GBSA binding free energy and molecular dynamics simulation of some designed remdesivir derivatives as the inhibitory potential of SARS-CoV-2 main protease

Research in pharmaceutical sciences, 2024-01, Vol.19 (1), p.29-41

2024

Volltextzugriff (PDF)

Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes

ACS nano, 2017-10, Vol.11 (10), p.10462-10471

2017

Volltextzugriff (PDF)

Permeation‐enhancing effects and mechanisms of borneol and menthol on ligustrazine: A multiscale study using in vitro and coarse‐grained molecular dynamics simulation methods

Chemical biology & drug design, 2018-11, Vol.92 (5), p.1830-1837

2018

Volltextzugriff (PDF)

Molecular Dynamics Simulation: Fundamentals and Applications

1, 2022

Volltextzugriff (PDF)

Probing intermolecular interactions and binding stability of kaempferol, quercetin and resveratrol derivatives with PPAR-γ: docking, molecular dynamics and MM/GBSA approach to reveal potent PPAR- γ agonist against cancer

Journal of biomolecular structure & dynamics, 2022-02, Vol.40 (3), p.971-981

2022

Volltextzugriff (PDF)

Adsorption of tetracyclines onto polyethylene microplastics: A combined study of experiment and molecular dynamics simulation

Chemosphere (Oxford), 2021-02, Vol.265, p.129133, Article 129133

2021

Volltextzugriff (PDF)

Structural insights into the synthesis of FMN in prokaryotic organisms

Acta crystallographica. Section D, Biological crystallography., 2015-12, Vol.71 (12), p.2526-2542

2015

Volltextzugriff (PDF)

Design, computational studies, synthesis and biological evaluation of thiazole-based molecules as anticancer agents

European journal of pharmaceutical sciences, 2019-06, Vol.134, p.20-30

2019

Volltextzugriff (PDF)

Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV‑2

ACS nano, 2020-04, Vol.14 (4), p.5143-5147

2020

Volltextzugriff (PDF)

Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface

Applied surface science, 2019-10, Vol.491, p.707-722

2019

Volltextzugriff (PDF)

Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19

Computers in biology and medicine, 2022-06, Vol.145, p.105468-105468, Article 105468

2022

Volltextzugriff (PDF)

Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron–Nitride Sheets

ACS nano, 2012-03, Vol.6 (3), p.2401-2409

2012

Volltextzugriff (PDF)

The future of molecular dynamics simulations in drug discovery

Journal of computer-aided molecular design, 2012-01, Vol.26 (1), p.15-26

2012

Volltextzugriff (PDF)

How does binding of agonist ligands control intrinsic molecular dynamics in human NMDA receptors?

PloS one, 2018-08, Vol.13 (8), p.e0201234-e0201234

2018

Volltextzugriff (PDF)

Average molecular structure model of shale kerogen: Experimental characterization, structural reconstruction, and pyrolysis analysis

Fuel (Guildford), 2024-01, Vol.355, p.129474, Article 129474

2024

Volltextzugriff (PDF)

26 – 50 von 108.775

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(103.167)
Mit Volltextzugriff
(102.205)

Publikationsform

8 weitere anzeigen...

Weniger anzeigen...

Sprache

13 weitere anzeigen...

Weniger anzeigen...

Erscheinungsjahr

n.n

Thema

Science & Technology
(97.244)
Physical Sciences
(56.799)
Molecular Dynamics Simulation
(52.801)
Molecular Dynamics
(45.468)
Chemistry
(42.662)
Life Sciences & Biomedicine
(39.213)
Computer Simulation
(28.702)
Physics
(27.875)
Technology
(27.237)
Biochemistry & Molecular Biology
(26.348)
Chemistry, Physical
(24.126)
Simulation
(24.070)
Humans
(18.006)
Thermodynamics
(17.187)
Materials Science
(14.693)
Physics, Atomic, Molecular & Chemical
(14.226)
Chemistry, Multidisciplinary
(13.875)
Proteins
(13.791)
Biophysics
(13.332)
Models, Molecular
(12.541)

15 weitere anzeigen...

Weniger anzeigen...

Kollektion

MEDLINE
(55.521)
IngentaConnect Journals
(52.962)
EZB Electronic Journals Library
(33.269)
Elsevier ScienceDirect Journals Complete
(25.375)
IngentaConnect Journals
(20.414)
Elsevier Journal Backfiles on ScienceDirect (DFG Nationallizenzen)
(16.322)
Wiley Online Library
(10.536)
Springer Journals
(10.102)
Publisher website
(9.296)
Wiley Online Library
(8.817)
SpringerLINK Contemporary (Konsortium Baden-Württemberg)
(8.237)
Journals@Ovid
(7.243)
AIP Journals (American Institute of Physics)
(6.265)
Taylor & Francis
(6.023)
Taylor & Francis Online
(5.944)
Taylor & Francis Journals
(5.527)
Nature
(2.809)
JSTOR All Journals
(1.755)
American Physical Society Journals
(1.484)
PROLA
(1.223)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Integration of Molecular Docking Analysis and Molecular Dynamics Simulations for Studying Food Proteins and Bioactive Peptides

Atomic-level characterization of protein–protein association

Real-World Predictions from Ab Initio Molecular Dynamics Simulations

The Amaryllidaceae alkaloid, montanine, is a potential inhibitor of the Trypanosoma cruzi trans-sialidase enzyme

In silico structural characterization of Cytochrome c oxidase Subunit 1: A transmembrane protein from Aedes aegypti

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

How cholesterol stiffens unsaturated lipid membranes

Computational simulations assessment of mutations impact on streptokinase (SK) from a group G streptococci with enhanced activity - insights into the functional roles of structural dynamics flexibility of SK and stabilization of SK-μplasmin catalytic complex

MDSPACE: Extracting Continuous Conformational Landscapes from Cryo-EM Single Particle Datasets Using 3D-to-2D Flexible Fitting based on Molecular Dynamics Simulation

Rationally designed peptide nanosponges for cell-based cancer therapy

In-silico study MM/GBSA binding free energy and molecular dynamics simulation of some designed remdesivir derivatives as the inhibitory potential of SARS-CoV-2 main protease

Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes

Permeation‐enhancing effects and mechanisms of borneol and menthol on ligustrazine: A multiscale study using in vitro and coarse‐grained molecular dynamics simulation methods

Molecular Dynamics Simulation: Fundamentals and Applications

Probing intermolecular interactions and binding stability of kaempferol, quercetin and resveratrol derivatives with PPAR-γ: docking, molecular dynamics and MM/GBSA approach to reveal potent PPAR- γ agonist against cancer

Adsorption of tetracyclines onto polyethylene microplastics: A combined study of experiment and molecular dynamics simulation

Structural insights into the synthesis of FMN in prokaryotic organisms

Design, computational studies, synthesis and biological evaluation of thiazole-based molecules as anticancer agents

Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV‑2

Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface

Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19

Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron–Nitride Sheets

The future of molecular dynamics simulations in drug discovery

How does binding of agonist ligands control intrinsic molecular dynamics in human NMDA receptors?

Average molecular structure model of shale kerogen: Experimental characterization, structural reconstruction, and pyrolysis analysis

Suchergebnisse filtern