UB Paderborn / Katalog / Suche / in CDI

1 – 15 von 15

Sortiert nach

Synthesis, Characterization, and DFT Calculations of a New Sulfamethoxazole Schiff Base and Its Metal Complexes

Materials, 2023-07, Vol.16 (14), p.5160

2023

Link zum Volltext

Verfügbarkeit prüfen

Covalent and non-covalent binding free energy calculations for peptidomimetic inhibitors of SARS-CoV-2 main protease

Physical chemistry chemical physics : PCCP, 2021-03, Vol.23 (11), p.6746-6757

2021

Link zum Volltext

Verfügbarkeit prüfen

Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations

Physical chemistry chemical physics : PCCP, 2020-10, Vol.22 (4), p.2399-2316

2020

Link zum Volltext

Verfügbarkeit prüfen

The gas‐phase ozonolysis reaction of methylbutenol: A mechanistic study

International journal of quantum chemistry, 2019-05, Vol.119 (10), p.n/a

2019

Link zum Volltext

Verfügbarkeit prüfen

Molecular Insights into the Impact of Mutations on the Binding Affinity of Targeted Covalent Inhibitors of BTK

The journal of physical chemistry. B, 2024-03, Vol.128 (12), p.2874-2884

2024

Link zum Volltext

Verfügbarkeit prüfen

A computational mechanistic study of the deamination reaction of melamine

International journal of quantum chemistry, 2017-02, Vol.117 (3), p.180-189

2017

Link zum Volltext

Verfügbarkeit prüfen

Structural Mapping of the Base Stacks Containing Post-transcriptionally Modified Bases in RNA

The journal of physical chemistry. B, 2023-07, Vol.127 (27), p.6049-6060

2023

Link zum Volltext

Verfügbarkeit prüfen

High-throughput virtual screening of drug databanks for potential inhibitors of SARS-CoV-2 spike glycoprotein

Journal of biomolecular structure & dynamics, 2022-03, Vol.40 (5), p.2099-2112

2022

Link zum Volltext

Verfügbarkeit prüfen

Role of Asp190 in the Phosphorylation of the Antibiotic Kanamycin Catalyzed by the Aminoglycoside Phosphotransferase Enzyme: A Combined QM:QM and MD Study

The journal of physical chemistry. B, 2020-04, Vol.124 (17), p.3494-3504

2020

Link zum Volltext

Verfügbarkeit prüfen

Accelerating the discovery of the beyond rule of five compounds that have high affinities toward SARS-CoV-2 spike RBD

Journal of biomolecular structure & dynamics, 2023-04, Vol.41 (6), p.2518-2527

2023

Link zum Volltext

Verfügbarkeit prüfen

Bimolecular reactions of carbenes: Proton transfer mechanism

Chemical physics letters, 2018-04, Vol.698, p.36-40

2018

Link zum Volltext

Verfügbarkeit prüfen

Mechanistic and spectral investigation on the deamination of ammeline and ammelide

Computational and theoretical chemistry, 2017-10, Vol.1117, p.92-99

2017

Link zum Volltext

Verfügbarkeit prüfen

Computational study for the second-stage cracking of the pyrolysis of ethylamine: Decomposition of methanimine, ethenamine, and ethanimine

Computational and theoretical chemistry, 2016-01, Vol.1075, p.9-17

2016

Link zum Volltext

Verfügbarkeit prüfen

A computational mechanistic study of the deamination reaction of melamine: ALMATARNEH et al

International journal of quantum chemistry, 2017-02, Vol.117 (3), p.180-189

2017

Link zum Volltext

Verfügbarkeit prüfen

Computational Study of the Dissociation Reactions of Secondary Ozonide

Atmosphere, 2020-01, Vol.11 (1), p.100

2020

Link zum Volltext

Verfügbarkeit prüfen

1 – 15 von 15

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(15)
Mit Volltextzugriff
(15)

Publikationsform

Artikel
(15)

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(14)
Physical Sciences
(12)
Chemistry
(11)
Chemistry, Physical
(11)
Physics
(6)
Physics, Atomic, Molecular & Chemical
(5)
Covid-19
(4)
Humans
(4)
Binding Energy
(3)
Life Sciences & Biomedicine
(3)
Ligands
(3)
Mathematical Analysis
(3)
Molecular Dynamics Simulation
(3)
Sars-Cov-2
(3)
Ammeline
(2)
B: Biophysical And Biochemical Systems And Processes
(2)
Bindungsenergie
(2)
Biochemistry & Molecular Biology
(2)
Biophysics
(2)
Coordination Compounds
(2)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

3 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Synthesis, Characterization, and DFT Calculations of a New Sulfamethoxazole Schiff Base and Its Metal Complexes

Covalent and non-covalent binding free energy calculations for peptidomimetic inhibitors of SARS-CoV-2 main protease

Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations

The gas‐phase ozonolysis reaction of methylbutenol: A mechanistic study

Molecular Insights into the Impact of Mutations on the Binding Affinity of Targeted Covalent Inhibitors of BTK

A computational mechanistic study of the deamination reaction of melamine

Structural Mapping of the Base Stacks Containing Post-transcriptionally Modified Bases in RNA

High-throughput virtual screening of drug databanks for potential inhibitors of SARS-CoV-2 spike glycoprotein

Role of Asp190 in the Phosphorylation of the Antibiotic Kanamycin Catalyzed by the Aminoglycoside Phosphotransferase Enzyme: A Combined QM:QM and MD Study

Accelerating the discovery of the beyond rule of five compounds that have high affinities toward SARS-CoV-2 spike RBD

Bimolecular reactions of carbenes: Proton transfer mechanism

Mechanistic and spectral investigation on the deamination of ammeline and ammelide

Computational study for the second-stage cracking of the pyrolysis of ethylamine: Decomposition of methanimine, ethenamine, and ethanimine

A computational mechanistic study of the deamination reaction of melamine: ALMATARNEH et al

Computational Study of the Dissociation Reactions of Secondary Ozonide

Suchergebnisse filtern