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...

Multi-dimensional virtual system introduced to enhance canonical sampling

The Journal of chemical physics, 2017-10, Vol.147 (13), p.134102-134102

2017

Volltextzugriff (PDF)

Mutual population-shift driven antibody-peptide binding elucidated by molecular dynamics simulations

Scientific reports, 2020-01, Vol.10 (1), p.1406-1406, Article 1406

2020

Volltextzugriff (PDF)

Generalized–ensemble method study: A helix‐mimetic compound inhibits protein–protein interaction by long‐range and short‐range intermolecular interactions

Journal of computational chemistry, 2021-05, Vol.42 (14), p.956-969

2021

Volltextzugriff (PDF)

Multidimensional virtual‐system coupled canonical molecular dynamics to compute free‐energy landscapes of peptide multimer assembly

Journal of computational chemistry, 2019-10, Vol.40 (28), p.2453-2463

2019

Volltextzugriff (PDF)

Computer simulation of molecular recognition in biomolecular system: from in silico screening to generalized ensembles

Biophysical reviews, 2022-12, Vol.14 (6), p.1423-1447

2022

Volltextzugriff (PDF)

Cryptic-site binding mechanism of medium-sized Bcl-xL inhibiting compounds elucidated by McMD-based dynamic docking simulations

Scientific reports, 2021-03, Vol.11 (1), p.5046-5046, Article 5046

2021

Volltextzugriff (PDF)

Enhancement of canonical sampling by virtual-state transitions

The Journal of chemical physics, 2017-01, Vol.146 (4), p.044104-044104

2017

Volltextzugriff (PDF)

Phosphorylation of an intrinsically disordered region of Ets1 shifts a multi-modal interaction ensemble to an auto-inhibitory state

Nucleic acids research, 2018-03, Vol.46 (5), p.2243-2251

2018

Volltextzugriff (PDF)

Intrinsic disorder accelerates dissociation rather than association

Proteins, structure, function, and bioinformatics, 2016-08, Vol.84 (8), p.1124-1133

2016

Volltextzugriff (PDF)

Difference of binding modes among three ligands to a receptor mSin3B corresponding to their inhibitory activities

Scientific reports, 2021-03, Vol.11 (1), p.6178-6178, Article 6178

2021

Volltextzugriff (PDF)

Multimodal Structural Distribution of the p53 C‑Terminal Domain upon Binding to S100B via a Generalized Ensemble Method: From Disorder to Extradisorder

Journal of chemical theory and computation, 2019-04, Vol.15 (4), p.2597-2607

2019

Volltextzugriff (PDF)

Studies on Molecular Dynamics of Intrinsically Disordered Proteins and Their Fuzzy Complexes: A Mini-Review

Computational and structural biotechnology journal, 2019-01, Vol.17, p.712-720

2019

Volltextzugriff (PDF)

Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation

Biochemical journal, 2016-06, Vol.473 (12), p.1651-1662

2016

Volltextzugriff (PDF)

Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé–Hoover Equation

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.1921-1930

2021

Volltextzugriff (PDF)

Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling

Journal of computational chemistry, 2016-12, Vol.37 (31), p.2687-2700

2016

Volltextzugriff (PDF)

Fly casting with ligand sliding and orientational selection supporting complex formation of a GPCR and a middle sized flexible molecule

Scientific reports, 2022-08, Vol.12 (1), p.13792-13792, Article 13792

2022

Volltextzugriff (PDF)

Molecular Mechanisms of Functional Modulation of Transcriptional Coactivator PC4 via Phosphorylation on Its Intrinsically Disordered Region

ACS omega, 2023-04, Vol.8 (16), p.14572-14582

2023

Volltextzugriff (PDF)

Free-energy landscape of molecular interactions between endothelin 1 and human endothelin type B receptor: fly-casting mechanism

Protein engineering, design and selection, 2019-12, Vol.32 (7), p.297-308

2019

Volltextzugriff (PDF)

Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking

Journal of computational chemistry, 2015-07, Vol.36 (20), p.1489-1501

2015

Volltextzugriff (PDF)

Binding free-energy landscapes of small molecule binder and non-binder to FMN riboswitch: All-atom molecular dynamics

Biophysics and Physicobiology, 2023, Vol.20(4), pp.e200047

2023

Volltextzugriff (PDF)

Faster Binding Free-Energy Landscape Calculation by Virtual-State Coupled Adaptive Umbrella Sampling

Biophysical journal, 2016-02, Vol.110 (3), p.55a-55a

2016

Volltextzugriff (PDF)

Binding Mechanism of Riboswitch to Natural Ligand Elucidated by McMD-Based Dynamic Docking Simulations

ACS omega, 2024-01, Vol.9 (3), p.3412-3422

2024

Volltextzugriff (PDF)

High-resolution modeling of antibody structures by a combination of bioinformatics, expert knowledge, and molecular simulations

Proteins, structure, function, and bioinformatics, 2014-08, Vol.82 (8), p.1624-1635

2014

Volltextzugriff (PDF)

GA-guided mD-VcMD: A genetic-algorithm-guided method for multi-dimensional virtual-system coupled molecular dynamics

Biophysics and Physicobiology, 2020, Vol.17, pp.161-176

2020

Volltextzugriff (PDF)

Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method

Journal of chemical information and modeling, 2015-09, Vol.55 (9), p.1936-1943

2015

Volltextzugriff (PDF)

1 – 25 von 212

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(197)
Mit Volltextzugriff
(199)

Publikationsform

Sprache

Englisch
(198)
Japanisch
(19)

Erscheinungsjahr

n.n

Thema

Science & Technology
(108)
Physical Sciences
(58)
Chemistry
(50)
Life Sciences & Biomedicine
(45)
Physics
(32)
Protein Conformation
(28)
Biochemistry & Molecular Biology
(26)
Chemistry, Multidisciplinary
(25)
Chemistry, Physical
(24)
Computer Simulation
(23)
Molecular Dynamics
(22)
Models, Molecular
(21)
Molecular Dynamics Simulation
(21)
Physics, Atomic, Molecular & Chemical
(21)
Biophysics
(19)
Humans
(18)
Protein Binding
(16)
Thermodynamics
(16)
Amino Acid Sequence
(14)
Multicanonical
(14)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Multi-dimensional virtual system introduced to enhance canonical sampling

Mutual population-shift driven antibody-peptide binding elucidated by molecular dynamics simulations

Generalized–ensemble method study: A helix‐mimetic compound inhibits protein–protein interaction by long‐range and short‐range intermolecular interactions

Multidimensional virtual‐system coupled canonical molecular dynamics to compute free‐energy landscapes of peptide multimer assembly

Computer simulation of molecular recognition in biomolecular system: from in silico screening to generalized ensembles

Cryptic-site binding mechanism of medium-sized Bcl-xL inhibiting compounds elucidated by McMD-based dynamic docking simulations

Enhancement of canonical sampling by virtual-state transitions

Phosphorylation of an intrinsically disordered region of Ets1 shifts a multi-modal interaction ensemble to an auto-inhibitory state

Intrinsic disorder accelerates dissociation rather than association

Difference of binding modes among three ligands to a receptor mSin3B corresponding to their inhibitory activities

Multimodal Structural Distribution of the p53 C‑Terminal Domain upon Binding to S100B via a Generalized Ensemble Method: From Disorder to Extradisorder

Studies on Molecular Dynamics of Intrinsically Disordered Proteins and Their Fuzzy Complexes: A Mini-Review

Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation

Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé–Hoover Equation

Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling

Fly casting with ligand sliding and orientational selection supporting complex formation of a GPCR and a middle sized flexible molecule

Molecular Mechanisms of Functional Modulation of Transcriptional Coactivator PC4 via Phosphorylation on Its Intrinsically Disordered Region

Free-energy landscape of molecular interactions between endothelin 1 and human endothelin type B receptor: fly-casting mechanism

Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking

Binding free-energy landscapes of small molecule binder and non-binder to FMN riboswitch: All-atom molecular dynamics

Faster Binding Free-Energy Landscape Calculation by Virtual-State Coupled Adaptive Umbrella Sampling

Binding Mechanism of Riboswitch to Natural Ligand Elucidated by McMD-Based Dynamic Docking Simulations

High-resolution modeling of antibody structures by a combination of bioinformatics, expert knowledge, and molecular simulations

GA-guided mD-VcMD: A genetic-algorithm-guided method for multi-dimensional virtual-system coupled molecular dynamics

Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method

Suchergebnisse filtern