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...

Essential dynamics: foundation and applications

Wiley interdisciplinary reviews. Computational molecular science, 2012-09, Vol.2 (5), p.762-770

2012

Volltextzugriff (PDF)

Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II

Angewandte Chemie International Edition, 2023-04, Vol.62 (16), p.e202216276-n/a

International ed. in English, 2023

Volltextzugriff (PDF)

Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species

Journal of biological inorganic chemistry, 2017-06, Vol.22 (4), p.615-623

2017

Volltextzugriff (PDF)

A combined experimental and computational approach for the rationalization of the catalytic activity of lipase B from Candida antarctica in water–organic solvent mixtures

Journal of chemical technology and biotechnology (1986), 2023-10, Vol.98 (10), p.2429-2436

2023

Volltextzugriff (PDF)

Charge-Based Interactions between Peptides Observed as the Dominant Force for Association in Aqueous Solution

Angewandte Chemie (International ed.), 2008-01, Vol.47 (47), p.9059-9062

2008

Volltextzugriff (PDF)

Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces

The journal of physical chemistry. B, 2019-08, Vol.123 (30), p.6474-6480

2019

Volltextzugriff (PDF)

Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin

The Protein Journal, 2023-06, Vol.42 (3), p.219-228

2023

Volltextzugriff (PDF)

Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases

ACS catalysis, 2023-12, Vol.13 (23), p.15310-15321

2023

Volltextzugriff (PDF)

Interpretation of Experimental Soret Bands of Porphyrins in Flexible Covalent Cages and in Their Related Ag(I) Fixed Complexes

Journal of physical chemistry. C, 2019-05, Vol.123 (20), p.13094-13103

2019

Volltextzugriff (PDF)

Allosteric Control of Naphthalene Diimide Encapsulation and Electron Transfer in Porphyrin Containers: Photophysical Studies and Molecular Dynamics Simulation

Chemistry : a European journal, 2020-12, Vol.26 (72), p.17514-17524

2020

Volltextzugriff (PDF)

Intermolecular Photoinduced Electron Transfer in Biosystems: Impact of Conformational Transitions and Multiple Channels on Kinetics

ChemPhotoChem, 2024-07, Vol.8 (7), p.n/a

2024

Volltextzugriff (PDF)

Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties

Journal of computational chemistry, 2018-08, Vol.39 (22), p.1747-1756

2018

Volltextzugriff (PDF)

Photophysical and Computational Insights into Ag(I) Complexation of Porphyrinic Covalent Cages Equipped with Triazoles-Incorporating Linkers

The journal of physical chemistry. B, 2022-05, Vol.126 (18), p.3450-3459

2022

Volltextzugriff (PDF)

Unambiguous Assignment of Reduction Potentials in Diheme Cytochromes

The journal of physical chemistry. B, 2014-07, Vol.118 (27), p.7554-7560

2014

Volltextzugriff (PDF)

A Theoretical Reappraisal of Polylysine in the Investigation of Secondary Structure Sensitivity of Infrared Spectra

The journal of physical chemistry. B, 2012-03, Vol.116 (10), p.3353-3360

2012

Volltextzugriff (PDF)

Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II

Angewandte Chemie, 2023-04, Vol.135 (16), p.n/a

2023

Volltextzugriff (PDF)

Monitoring the Folding Kinetics of a β‑Hairpin by Time-Resolved IR Spectroscopy in Silico

The journal of physical chemistry. B, 2015-04, Vol.119 (14), p.4849-4856

2015

Volltextzugriff (PDF)

Modeling quantum vibrational excitations in condensed-phase molecular systems

Theoretical chemistry accounts, 2011-05, Vol.129 (1), p.31-43

2011

Volltextzugriff (PDF)

Computational investigation of the electron transfer complex between neuroglobin and cytochrome c

Supramolecular chemistry, 2017-11, Vol.29 (11), p.846-852

2017

Volltextzugriff (PDF)

Analysis of Infrared Spectra of β-Hairpin Peptides As Derived from Molecular Dynamics Simulations

The journal of physical chemistry. B, 2011-10, Vol.115 (41), p.11872-11878

2011

Volltextzugriff (PDF)

Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach

Theoretical chemistry accounts, 2013-11, Vol.132 (11), Article 1393

2013

Volltextzugriff (PDF)

Structure and solvation properties of aqueous sulfobetaine micelles in the presence of organic spin probes: a Molecular Dynamics simulation study

Structural chemistry, 2013-06, Vol.24 (3), p.945-953

2013

Volltextzugriff (PDF)

Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the Haem carbon monoxide binding–unbinding reaction in Myoglobin

Theoretical chemistry accounts, 2007-05, Vol.117 (5-6), p.637-647

2007

Volltextzugriff (PDF)

Solvent Electrostriction-Driven Peptide Folding Revealed by Quasi-Gaussian Entropy Theory and Molecular Dynamics Simulation

The journal of physical chemistry. B, 2008-09, Vol.112 (35), p.11155-11163

2008

Volltextzugriff (PDF)

Theoretical modeling of chemical reactions in complex environments: the intramolecular proton transfer in aqueous malonaldehyde

Journal of physical organic chemistry, 2006-08, Vol.19 (8-9), p.518-530

2006

Volltextzugriff (PDF)

1 – 25 von 25

Suche als RSS-Feed

Aktive Filter

KollektionEZB Free E-Journals

KollektionFree E-Journal (出版社公開部分のみ）

Zeitschrift / SerieJournal Of The American Chemical Society

ThemaPhysics

ThemaChemistry

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(25)
Mit Volltextzugriff
(25)

Publikationsform

Artikel
(25)

Sprache

Englisch
(25)

Erscheinungsjahr

n.n

Thema

14 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Essential dynamics: foundation and applications

Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II

Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species

A combined experimental and computational approach for the rationalization of the catalytic activity of lipase B from Candida antarctica in water–organic solvent mixtures

Charge-Based Interactions between Peptides Observed as the Dominant Force for Association in Aqueous Solution

Hydration Shell of Antifreeze Proteins: Unveiling the Role of Non-Ice-Binding Surfaces

Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin

Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases

Interpretation of Experimental Soret Bands of Porphyrins in Flexible Covalent Cages and in Their Related Ag(I) Fixed Complexes

Allosteric Control of Naphthalene Diimide Encapsulation and Electron Transfer in Porphyrin Containers: Photophysical Studies and Molecular Dynamics Simulation

Intermolecular Photoinduced Electron Transfer in Biosystems: Impact of Conformational Transitions and Multiple Channels on Kinetics

Tyrosine absorption spectroscopy: Backbone protonation effects on the side chain electronic properties

Photophysical and Computational Insights into Ag(I) Complexation of Porphyrinic Covalent Cages Equipped with Triazoles-Incorporating Linkers

Unambiguous Assignment of Reduction Potentials in Diheme Cytochromes

A Theoretical Reappraisal of Polylysine in the Investigation of Secondary Structure Sensitivity of Infrared Spectra

Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II

Monitoring the Folding Kinetics of a β‑Hairpin by Time-Resolved IR Spectroscopy in Silico

Modeling quantum vibrational excitations in condensed-phase molecular systems

Computational investigation of the electron transfer complex between neuroglobin and cytochrome c

Analysis of Infrared Spectra of β-Hairpin Peptides As Derived from Molecular Dynamics Simulations

Modeling triplet flavin-indole electron transfer and interradical dipolar interaction: a perturbative approach

Structure and solvation properties of aqueous sulfobetaine micelles in the presence of organic spin probes: a Molecular Dynamics simulation study

Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the Haem carbon monoxide binding–unbinding reaction in Myoglobin

Solvent Electrostriction-Driven Peptide Folding Revealed by Quasi-Gaussian Entropy Theory and Molecular Dynamics Simulation

Theoretical modeling of chemical reactions in complex environments: the intramolecular proton transfer in aqueous malonaldehyde

Aktive Filter

Suchergebnisse filtern