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...

Theoretical Insights into MutY Glycosylase DNA Repair Mechanism

Biochemistry (Easton), 2024-08, Vol.63 (15), p.1991-1998

2024

Volltextzugriff (PDF)

Rationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations

The journal of physical chemistry. B, 2022-07, Vol.126 (27), p.5017-5023

2022

Volltextzugriff (PDF)

Modeling the temperature dependence of the fluorescence properties of Indole in aqueous solution

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-05, Vol.313, p.124096, Article 124096

2024

Volltextzugriff (PDF)

Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases

Molecules (Basel, Switzerland), 2022-11, Vol.27 (21), p.7408

2022

Volltextzugriff (PDF)

Quaternary Structure Transitions of Human Hemoglobin: An Atomic-Level View of the Functional Intermediate States

Journal of chemical information and modeling, 2021-08, Vol.61 (8), p.3988-3999

2021

Volltextzugriff (PDF)

On the activation and deactivation pathways of the Lck kinase domain: a computational study

Journal of computer-aided molecular design, 2019-06, Vol.33 (6), p.597-603

2019

Volltextzugriff (PDF)

Theoretical Evaluation of Sulfur-Based Reactions as a Model for Biological Antioxidant Defense

International journal of molecular sciences, 2022-11, Vol.23 (23), p.14515

2022

Volltextzugriff (PDF)

A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole

Molecules (Basel, Switzerland), 2022-11, Vol.27 (23), p.8135

2022

Volltextzugriff (PDF)

PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method

Journal of chemical theory and computation, 2023-01, Vol.19 (1), p.33-41

2023

Volltextzugriff (PDF)

Unveiling the Excited State Dynamics of Indole in Solution

Journal of chemical theory and computation, 2023-07, Vol.19 (13), p.4114-4124

2023

Volltextzugriff (PDF)

Theoretical Characterization of the Reduction Potentials of Nucleic Acids in Solution

Journal of chemical theory and computation, 2021-03, Vol.17 (3), p.1301-1307

2021

Volltextzugriff (PDF)

Theoretical Modeling of Redox Potentials of Biomolecules

Molecules (Basel, Switzerland), 2022-02, Vol.27 (3), p.1077

2022

Volltextzugriff (PDF)

Molecular Modeling of the Deamidation Reaction in Solution: A Theoretical–Computational Study

The journal of physical chemistry. B, 2023-11, Vol.127 (44), p.9550-9559

2023

Volltextzugriff (PDF)

Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis

Molecules (Basel, Switzerland), 2023-02, Vol.28 (5), p.2152

2023

Volltextzugriff (PDF)

The Full Model of the pMHC-TCR-CD3 Complex: A Structural and Dynamical Characterization of Bound and Unbound States

Cells (Basel, Switzerland), 2022-02, Vol.11 (4), p.668

2022

Volltextzugriff (PDF)

Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors

Journal of chemical information and modeling, 2020-03, Vol.60 (3), p.1390-1398

2020

Volltextzugriff (PDF)

Complexation and organization of doxorubicin on polystyrene sulfonate chains: impacts on doxorubicin dimerization and quenching

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (42), p.2599-25998

2022

Volltextzugriff (PDF)

Atomic-Level View of the Functional Transition in Vertebrate Hemoglobins: The Case of Antarctic Fish Hbs

Journal of chemical information and modeling, 2022-08, Vol.62 (16), p.3874-3884

2022

Volltextzugriff (PDF)

Effects of Environmental and Electric Perturbations on the pKa of Thioredoxin Cysteine 35: A Computational Study

Molecules (Basel, Switzerland), 2022-09, Vol.27 (19), p.6454

2022

Volltextzugriff (PDF)

DNA cleavage by endonuclease I-DmoI: a QM/MM study and comparison with experimental data provide indications on the environmental effects

Theoretical chemistry accounts, 2020-03, Vol.139 (3), Article 68

2020

Volltextzugriff (PDF)

Evolutionary Modes in Protein Observable Space: The Case of Thioredoxins

Journal of molecular evolution, 2019-07, Vol.87 (4-6), p.175-183

2019

Volltextzugriff (PDF)

A finely balanced order-disorder equilibrium sculpts the folding-binding landscape of an antibiotic sequestering protein

Proceedings of the National Academy of Sciences - PNAS, 2024-05, Vol.121 (20), p.e2318855121

2024

Volltextzugriff (PDF)

The self-association equilibria of doxorubicin at high concentration and ionic strength characterized by fluorescence spectroscopy and molecular dynamics simulations

Colloids and surfaces. A, Physicochemical and engineering aspects, 2019-09, Vol.577, p.517-522

2019

Volltextzugriff (PDF)

Theoretical-computational modelling of the L-alanine CD spectrum in water

Computational and theoretical chemistry, 2022-03, Vol.1209, p.113591, Article 113591

2022

Volltextzugriff (PDF)

Density discriminates between thermophilic and mesophilic proteins

Journal of biomolecular structure & dynamics, 2018-09, Vol.36 (12), p.3265-3273

2018

Volltextzugriff (PDF)

1 – 25 von 191

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(180)
Mit Volltextzugriff
(185)

Publikationsform

Sprache

Englisch
(186)
Deutsch
(2)

Erscheinungsjahr

n.n

Thema

Science & Technology
(155)
Life Sciences & Biomedicine
(82)
Chemistry
(74)
Physical Sciences
(70)
Chemistry, Physical
(43)
Molecular Dynamics
(41)
Humans
(33)
Biochemistry & Molecular Biology
(30)
Physics
(26)
Physics, Atomic, Molecular & Chemical
(26)
Proteins
(25)
Molecular Dynamics Simulation
(24)
Chemistry, Multidisciplinary
(20)
Technology
(20)
Male
(19)
Female
(16)
Biophysics
(15)
Middle Aged
(14)
Adult
(12)
Infectious Diseases
(12)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)
... seit 90 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

Theoretical Insights into MutY Glycosylase DNA Repair Mechanism

Rationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations

Modeling the temperature dependence of the fluorescence properties of Indole in aqueous solution

Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases

Quaternary Structure Transitions of Human Hemoglobin: An Atomic-Level View of the Functional Intermediate States

On the activation and deactivation pathways of the Lck kinase domain: a computational study

Theoretical Evaluation of Sulfur-Based Reactions as a Model for Biological Antioxidant Defense

A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole

PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method

Unveiling the Excited State Dynamics of Indole in Solution

Theoretical Characterization of the Reduction Potentials of Nucleic Acids in Solution

Theoretical Modeling of Redox Potentials of Biomolecules

Molecular Modeling of the Deamidation Reaction in Solution: A Theoretical–Computational Study

Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis

The Full Model of the pMHC-TCR-CD3 Complex: A Structural and Dynamical Characterization of Bound and Unbound States

Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors

Complexation and organization of doxorubicin on polystyrene sulfonate chains: impacts on doxorubicin dimerization and quenching

Atomic-Level View of the Functional Transition in Vertebrate Hemoglobins: The Case of Antarctic Fish Hbs

Effects of Environmental and Electric Perturbations on the pKa of Thioredoxin Cysteine 35: A Computational Study

DNA cleavage by endonuclease I-DmoI: a QM/MM study and comparison with experimental data provide indications on the environmental effects

Evolutionary Modes in Protein Observable Space: The Case of Thioredoxins

A finely balanced order-disorder equilibrium sculpts the folding-binding landscape of an antibiotic sequestering protein

The self-association equilibria of doxorubicin at high concentration and ionic strength characterized by fluorescence spectroscopy and molecular dynamics simulations

Theoretical-computational modelling of the L-alanine CD spectrum in water

Density discriminates between thermophilic and mesophilic proteins

Suchergebnisse filtern