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...

Binding hotspots on K-ras: Consensus ligand binding sites and other reactive regions from probe-based molecular dynamics analysis

Proteins, structure, function, and bioinformatics, 2015-05, Vol.83 (5), p.898-909

2015

Volltextzugriff (PDF)

Complete reconstruction of dasatinib unbinding pathway from c-Src kinase by supervised molecular dynamics simulation method; assessing efficiency and trustworthiness of the method

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (23), p.12535-12545

2022

Volltextzugriff (PDF)

Molecular‐dynamics simulation methods for macromolecular crystallography

Acta crystallographica. Section D, Biological crystallography., 2023-01, Vol.79 (1), p.50-65

2023

Volltextzugriff (PDF)

MD simulations reveal alternate conformations of the oxyanion hole in the Zika virus NS2B/NS3 protease

Proteins, structure, function, and bioinformatics, 2020-02, Vol.88 (2), p.345-354

2020

Volltextzugriff (PDF)

A conformational landscape for alginate secretion across the outer membrane of Pseudomonas aeruginosa

Acta crystallographica. Section D, Biological crystallography., 2014-08, Vol.70 (8), p.2054-2068

2014

Volltextzugriff (PDF)

Identification of a conserved 8 aa insert in the PIP5K protein in the Saccharomycetaceae family of fungi and the molecular dynamics simulations and structural analysis to investigate its potential functional role

Proteins, structure, function, and bioinformatics, 2017-08, Vol.85 (8), p.1454-1467

2017

Volltextzugriff (PDF)

Exploring ligand dynamics in protein crystal structures with ensemble refinement

Acta crystallographica. Section D, Biological crystallography., 2021-08, Vol.77 (8), p.1099-1115

2021

Volltextzugriff (PDF)

The penetration of human defensin 5 (HD5) through bacterial outer membrane: simulation studies

Journal of molecular modeling, 2021-10, Vol.27 (10), p.291-291, Article 291

2021

Volltextzugriff (PDF)

The putative role of some conserved water molecules in the structure and function of human transthyretin

Acta crystallographica. Section D, Biological crystallography., 2015-11, Vol.71 (11), p.2248-2266

2015

Volltextzugriff (PDF)

Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

Journal of biomolecular structure & dynamics, 2022-02, Vol.40 (2), p.585-611

2022

Volltextzugriff (PDF)

Insights from molecular dynamics simulations and steered molecular dynamics simulations to exploit new trends of the interaction between HIF-1α and p300

Journal of biomolecular structure & dynamics, 2020-01, Vol.38 (1), p.1-12

2020

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)

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)

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)

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)

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)

Proposed dual membrane contact with full-length Osh4

Biochimica et biophysica acta. Biomembranes, 2024-10, Vol.1866 (7), p.184365, Article 184365

2024

Volltextzugriff (PDF)

Tear film lipid layer: A molecular level view

Biochimica et biophysica acta, 2016-10, Vol.1858 (10), p.2421-2430

Cwiklik, Lukasz

2016

Volltextzugriff (PDF)

Structure and dynamics of DRD4 bound to an agonist and an antagonist using in silico approaches

Proteins, structure, function, and bioinformatics, 2015-05, Vol.83 (5), p.867-880

2015

Volltextzugriff (PDF)

Heterogeneous and rate-dependent streptavidin–biotin unbinding revealed by high-speed force spectroscopy and atomistic simulations

Proceedings of the National Academy of Sciences - PNAS, 2019-04, Vol.116 (14), p.6594-6601

2019

Volltextzugriff (PDF)

Deciphering the crucial molecular properties of a series of Benzothiazole Hydrazone inhibitors that targets anti-apoptotic Bcl-xL protein

Journal of biomolecular structure & dynamics, 2018-07, Vol.36 (10), p.2654-2667

2018

Volltextzugriff (PDF)

Study of the impact of the T877A mutation on ligand-induced helix-12 positioning of the androgen receptor resulted in design and synthesis of novel antiandrogens

Proteins, structure, function, and bioinformatics, 2010-02, Vol.78 (3), p.623-637

2010

Volltextzugriff (PDF)

Molecular dynamics simulations and drug discovery

BMC biology, 2011-10, Vol.9 (1), p.71-71, Article 71

2011

Volltextzugriff (PDF)

The structural heterogeneity of α-synuclein is governed by several distinct subpopulations with interconversion times slower than milliseconds

Structure (London), 2021-09, Vol.29 (9), p.1048-1064.e6

2021

Volltextzugriff (PDF)

Molecular docking and molecular dynamics simulation approach to screen natural compounds for inhibition of Xanthomonas oryzae pv. Oryzae by targeting peptide deformylase

Journal of biomolecular structure & dynamics, 2021-02, Vol.39 (3), p.823-840

2021

Volltextzugriff (PDF)

1 – 25 von 13.332

Suche als RSS-Feed

Aktive Filter

ThemaBiophysics

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(13.234)
Mit Volltextzugriff
(13.138)

Publikationsform

Sprache

Englisch
(13.329)
Chinesisch
(2)
Russisch
(1)

Erscheinungsjahr

n.n

Thema

Science & Technology
(13.169)
Life Sciences & Biomedicine
(12.512)
Biochemistry & Molecular Biology
(10.072)
Molecular Dynamics Simulation
(8.340)
Molecular Dynamics
(4.250)
Computer Simulation
(3.994)
Humans
(3.811)
Thermodynamics
(3.620)
Models, Molecular
(3.458)
Protein Binding
(3.014)
Protein Conformation
(2.859)
Chemistry
(2.784)
Binding Sites
(2.717)
Physical Sciences
(2.524)
Technology
(2.442)
Proteins
(2.169)
Computer Science
(2.121)
Molecular Docking Simulation
(2.103)
Computer Science, Interdisciplinary Applications
(2.042)

14 weitere anzeigen...

Weniger anzeigen...

Kollektion

MEDLINE
(11.421)
Ingenta.com
(7.900)
Elsevier ScienceDirect Journals Complete
(4.491)
EZB Electronic Journals Library
(3.742)
IngentaConnect Journals
(3.171)
Publisher's website
(3.061)
Springer journals
(2.818)
Taylor & Francis Online
(2.787)
Taylor & Francis
(2.787)
Taylor & Francis Journals
(2.766)
SpringerLINK Contemporary (Konsortium Baden-Württemberg)
(2.702)
Elsevier Journal Backfiles on ScienceDirect (DFG Nationallizenzen)
(2.474)
Wiley Online Library
(2.259)
Wiley Online Library Full Collection 2018
(2.237)
Journals@Ovid Complete
(1.110)
Springer Book Series (Lecture Notes)
(466)
Nature Journals Online
(129)
JSTOR
(128)
AIP Journals (American Institute of Physics)
(93)
American Association for the Advancement of Science
(28)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(5)
... seit 90 Tagen
(40)

Menü

Weitere Dienste

Einstellungen

Binding hotspots on K-ras: Consensus ligand binding sites and other reactive regions from probe-based molecular dynamics analysis

Complete reconstruction of dasatinib unbinding pathway from c-Src kinase by supervised molecular dynamics simulation method; assessing efficiency and trustworthiness of the method

Molecular‐dynamics simulation methods for macromolecular crystallography

MD simulations reveal alternate conformations of the oxyanion hole in the Zika virus NS2B/NS3 protease

A conformational landscape for alginate secretion across the outer membrane of Pseudomonas aeruginosa

Identification of a conserved 8 aa insert in the PIP5K protein in the Saccharomycetaceae family of fungi and the molecular dynamics simulations and structural analysis to investigate its potential functional role

Exploring ligand dynamics in protein crystal structures with ensemble refinement

The penetration of human defensin 5 (HD5) through bacterial outer membrane: simulation studies

The putative role of some conserved water molecules in the structure and function of human transthyretin

Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

Insights from molecular dynamics simulations and steered molecular dynamics simulations to exploit new trends of the interaction between HIF-1α and p300

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

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

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

Structural insights into the synthesis of FMN in prokaryotic organisms

The future of molecular dynamics simulations in drug discovery

Proposed dual membrane contact with full-length Osh4

Tear film lipid layer: A molecular level view

Structure and dynamics of DRD4 bound to an agonist and an antagonist using in silico approaches

Heterogeneous and rate-dependent streptavidin–biotin unbinding revealed by high-speed force spectroscopy and atomistic simulations

Deciphering the crucial molecular properties of a series of Benzothiazole Hydrazone inhibitors that targets anti-apoptotic Bcl-xL protein

Study of the impact of the T877A mutation on ligand-induced helix-12 positioning of the androgen receptor resulted in design and synthesis of novel antiandrogens

Molecular dynamics simulations and drug discovery

The structural heterogeneity of α-synuclein is governed by several distinct subpopulations with interconversion times slower than milliseconds

Molecular docking and molecular dynamics simulation approach to screen natural compounds for inhibition of Xanthomonas oryzae pv. Oryzae by targeting peptide deformylase

Aktive Filter

Suchergebnisse filtern