UB Paderborn / Katalog / Suche / in CDI

1 – 16 von 16

Sortiert nach

New Chemodosimetric Reagents as Ratiometric Probes for Cysteine and Homocysteine and Possible Detection in Living Cells and in Blood Plasma

Chemistry : a European journal, 2012-11, Vol.18 (48), p.15382-15393

2012

Volltextzugriff (PDF)

In silico studies in probing the role of kinetic and structural effects of different drugs for the reactivation of tabun-inhibited AChE

PloS one, 2013-12, Vol.8 (12), p.e79591

2013

Volltextzugriff (PDF)

A first principles investigation of aging processes in soman conjugated AChE

Chemico-biological interactions, 2013-08, Vol.204 (3), p.185-190

2013

Volltextzugriff (PDF)

In silico study on the mechanism of formation of hydrazine and nitrogen in the reactions of excess hydroxylamine with 2,4-dinitrophenyl diethyl phosphateElectronic supplementary information (ESI) available: Cartesian coordinates of all stationary points optimized in aqueous phase at MP2/6-31G(d) including electronic, distortion/interaction energies and free energies of transition states geometries. See DOI: 10.1039/c4nj02300e

2015-05

Volltextzugriff (PDF)

Role of Metal Ion in Specific Recognition of Pyrophosphate Ion under Physiological Conditions and Hydrolysis of the Phosphoester Linkage by Alkaline Phosphatase

Inorganic chemistry, 2013-10, Vol.52 (19), p.11034-11041

2013

Volltextzugriff (PDF)

In silico study on the mechanism of formation of hydrazine and nitrogen in the reactions of excess hydroxylamine with 2,4-dinitrophenyl diethyl phosphate

New journal of chemistry, 2015-01, Vol.39 (5), p.3558-3563

2015

Volltextzugriff (PDF)

Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime

Chemico-biological interactions, 2014-11, Vol.223, p.58-68

2014

Volltextzugriff (PDF)

Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies

Journal of computer-aided molecular design, 2017-08, Vol.31 (8), p.729-742

2017

Volltextzugriff (PDF)

Molecular dynamics simulations of the interaction of Mouse and Torpedo acetylcholinesterase with covalent inhibitors explain their differential reactivity: Implications for drug design

Chemico-biological interactions, 2019-09, Vol.310, p.108715-108715, Article 108715

2019

Volltextzugriff (PDF)

The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies

Molecular bioSystems, 2016-01, Vol.12 (4), p.1224-1231

2016

Volltextzugriff (PDF)

The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studiesElectronic supplementary information (ESI) available: Cartesian coordinates of the geometries are given. See DOI: 10.1039/c5mb00735f

2016-03

Volltextzugriff (PDF)

In silico studies on the role of mutant Y337A to reactivate tabun inhibited mAChE with K048

Chemico-biological interactions, 2015-12, Vol.242, p.299-306

2015

Volltextzugriff (PDF)

In silico study on aging and reactivation processes of tabun conjugated AChE

MedChemComm, 2015-01, Vol.6 (5), p.871-878

2015

Volltextzugriff (PDF)

In silico study on aging and reactivation processes of tabun conjugated AChEElectronic supplementary information (ESI) available: Cartesian coordinates of all the stationary points at M05-2X/6-31G calculated in this article and the corresponding electronic energies at MP2/6-31 + G level of theory in aqueous phase are available in the supplementary data. See DOI: 10.1039/c4md00497c

2015-05

Volltextzugriff (PDF)

Role of Noncovalent Interactions in Designing Inhibitors for H+,K+‐ATPase: Combined QM and MD Based Investigations

ChemistrySelect (Weinheim), 2016-12, Vol.1 (21), p.6847-6854

2016

Volltextzugriff (PDF)

In Silico Studies in Probing the Role of Kinetic and Structural Effects of Different Drugs for the Reactivation of Tabun-Inhibited AChE: e79591

PloS one, 2013-12, Vol.8 (12)

2013

Volltextzugriff (PDF)

1 – 16 von 16

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(16)
Mit Volltextzugriff
(16)

Publikationsform

Artikel
(16)

Sprache

Englisch
(15)
Japanisch
(1)

Erscheinungsjahr

n.n

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

New Chemodosimetric Reagents as Ratiometric Probes for Cysteine and Homocysteine and Possible Detection in Living Cells and in Blood Plasma

In silico studies in probing the role of kinetic and structural effects of different drugs for the reactivation of tabun-inhibited AChE

A first principles investigation of aging processes in soman conjugated AChE

Role of Metal Ion in Specific Recognition of Pyrophosphate Ion under Physiological Conditions and Hydrolysis of the Phosphoester Linkage by Alkaline Phosphatase

In silico study on the mechanism of formation of hydrazine and nitrogen in the reactions of excess hydroxylamine with 2,4-dinitrophenyl diethyl phosphate

Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime

Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies

Molecular dynamics simulations of the interaction of Mouse and Torpedo acetylcholinesterase with covalent inhibitors explain their differential reactivity: Implications for drug design

The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies

The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studiesElectronic supplementary information (ESI) available: Cartesian coordinates of the geometries are given. See DOI: 10.1039/c5mb00735f

In silico studies on the role of mutant Y337A to reactivate tabun inhibited mAChE with K048

In silico study on aging and reactivation processes of tabun conjugated AChE

Role of Noncovalent Interactions in Designing Inhibitors for H+,K+‐ATPase: Combined QM and MD Based Investigations

In Silico Studies in Probing the Role of Kinetic and Structural Effects of Different Drugs for the Reactivation of Tabun-Inhibited AChE: e79591

Suchergebnisse filtern