UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 180

Sortiert nach

Structure-based search for new inhibitors of cholinesterases

International journal of molecular sciences, 2013-03, Vol.14 (3), p.5608-5632

2013

Link zum Volltext

Verfügbarkeit prüfen

SFCscore(RF): a random forest-based scoring function for improved affinity prediction of protein-ligand complexes

Journal of chemical information and modeling, 2013-08, Vol.53 (8), p.1923-1933

2013

Link zum Volltext

Verfügbarkeit prüfen

Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations

PloS one, 2015-05, Vol.10 (5), p.e0127009-e0127009

2015

Link zum Volltext

Verfügbarkeit prüfen

Accounting for induced-fit effects in docking: what is possible and what is not?

Current topics in medicinal chemistry, 2011, Vol.11 (2), p.179

Sotriffer, Christoph A

2011

Link zum Volltext

Verfügbarkeit prüfen

Discovery of Highly Selective and Nanomolar Carbamate-Based Butyrylcholinesterase Inhibitors by Rational Investigation into Their Inhibition Mode

Journal of medicinal chemistry, 2016-03, Vol.59 (5), p.2067-2082

2016

Link zum Volltext

Verfügbarkeit prüfen

Target Flexibility: An Emerging Consideration in Drug Discovery and Design

Journal of medicinal chemistry, 2008-10, Vol.51 (20), p.6237-6255

2008

Link zum Volltext

Verfügbarkeit prüfen

PROTAC-mediated degradation reveals a non-catalytic function of AURORA-A kinase

Nature chemical biology, 2020-11, Vol.16 (11), p.1179

2020

Link zum Volltext

Verfügbarkeit prüfen

Melatonin- and Ferulic Acid-Based HDAC6 Selective Inhibitors Exhibit Pronounced Immunomodulatory Effects In Vitro and Neuroprotective Effects in a Pharmacological Alzheimer’s Disease Mouse Model

Journal of medicinal chemistry, 2021-04, Vol.64 (7), p.3794-3812

2021

Link zum Volltext

Verfügbarkeit prüfen

Amine substitution of quinazolinones leads to selective nanomolar AChE inhibitors with ‘inverted’ binding mode

Bioorganic & medicinal chemistry, 2014-09, Vol.22 (17), p.4867-4881

2014

Link zum Volltext

Verfügbarkeit prüfen

Molecular dynamics reveal binding mode of glutathionylspermidine by trypanothione synthetase

PloS one, 2013-02, Vol.8 (2), p.e56788-e56788

2013

Link zum Volltext

Verfügbarkeit prüfen

Docking of Covalent Ligands: Challenges and Approaches

Molecular informatics, 2018-09, Vol.37 (9-10), p.e1800062-n/a

Sotriffer, Christoph

2018

Link zum Volltext

Verfügbarkeit prüfen

SFCscore: Scoring functions for affinity prediction of protein-ligand complexes

Proteins, structure, function, and bioinformatics, 2008-11, Vol.73 (2), p.395-419

2008

Link zum Volltext

Verfügbarkeit prüfen

Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme

Structure (London), 2017-07, Vol.25 (7), p.1120-1129.e3

2017

Link zum Volltext

Verfügbarkeit prüfen

Acetylcholinesterase Inhibitors with Photoswitchable Inhibition of β‑Amyloid Aggregation

ACS chemical neuroscience, 2014-05, Vol.5 (5), p.377-389

2014

Link zum Volltext

Verfügbarkeit prüfen

MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules

Bioinformatics, 2013-01, Vol.29 (1), p.62-68

2013

Link zum Volltext

Verfügbarkeit prüfen

Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes

Molecular informatics, 2016-12, Vol.35 (11-12), p.541-548

2016

Link zum Volltext

Verfügbarkeit prüfen

Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus FabI Enzyme–Product Complex

Biochemistry (Easton), 2013-06, Vol.52 (24), p.4217-4228

2013

Link zum Volltext

Verfügbarkeit prüfen

Controlling Supramolecular Structures of Drugs by Light

Molecular pharmaceutics, 2020-12, Vol.17 (12), p.4704-4708

2020

Link zum Volltext

Verfügbarkeit prüfen

Experimental and theoretical investigations into the stability of cyclic aminals

Beilstein journal of organic chemistry, 2016-10, Vol.12 (1), p.2280-2292

2016

Link zum Volltext

Verfügbarkeit prüfen

Glycolytic flux control by drugging phosphoglycolate phosphatase

Nature communications, 2022-11, Vol.13 (1), p.6845-18, Article 6845

2022

Link zum Volltext

Verfügbarkeit prüfen

Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (ACP) Reductase Inhibitor

The Journal of biological chemistry, 2014-06, Vol.289 (23), p.15987-16005

2014

Link zum Volltext

Verfügbarkeit prüfen

Discovery of a Novel Binding Trench in HIV Integrase

Journal of medicinal chemistry, 2004-04, Vol.47 (8), p.1879-1881

2004

Link zum Volltext

Verfügbarkeit prüfen

Correlating Drug-Target Kinetics and In vivo Pharmacodynamics: Long Residence Time Inhibitors of the FabI Enoyl-ACP Reductase

Chemical science (Cambridge), 2016-01, Vol.7 (9), p.5945-5954

2016

Link zum Volltext

Verfügbarkeit prüfen

AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB

Nucleic acids research, 2006-01, Vol.34 (Database issue), p.D522

2006

Link zum Volltext

Verfügbarkeit prüfen

Protocol for Rational Design of Covalently Interacting Inhibitors

Chemphyschem, 2014-10, Vol.15 (15), p.3226-3235

2014

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 180

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(140)
Mit Volltextzugriff
(177)

Publikationsform

Artikel
(148)
Buchkapitel
(30)
Bücher
(2)

Sprache

Englisch
(175)
Japanisch
(11)
Deutsch
(4)

Erscheinungsjahr

n.n

Thema

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

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

Menü

Weitere Dienste

Einstellungen

Structure-based search for new inhibitors of cholinesterases

SFCscore(RF): a random forest-based scoring function for improved affinity prediction of protein-ligand complexes

Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations

Accounting for induced-fit effects in docking: what is possible and what is not?

Discovery of Highly Selective and Nanomolar Carbamate-Based Butyrylcholinesterase Inhibitors by Rational Investigation into Their Inhibition Mode

Target Flexibility: An Emerging Consideration in Drug Discovery and Design

PROTAC-mediated degradation reveals a non-catalytic function of AURORA-A kinase

Melatonin- and Ferulic Acid-Based HDAC6 Selective Inhibitors Exhibit Pronounced Immunomodulatory Effects In Vitro and Neuroprotective Effects in a Pharmacological Alzheimer’s Disease Mouse Model

Amine substitution of quinazolinones leads to selective nanomolar AChE inhibitors with ‘inverted’ binding mode

Molecular dynamics reveal binding mode of glutathionylspermidine by trypanothione synthetase

Docking of Covalent Ligands: Challenges and Approaches

SFCscore: Scoring functions for affinity prediction of protein-ligand complexes

Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme

Acetylcholinesterase Inhibitors with Photoswitchable Inhibition of β‑Amyloid Aggregation

MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules

Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes

Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus FabI Enzyme–Product Complex

Controlling Supramolecular Structures of Drugs by Light

Experimental and theoretical investigations into the stability of cyclic aminals

Glycolytic flux control by drugging phosphoglycolate phosphatase

Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (ACP) Reductase Inhibitor

Discovery of a Novel Binding Trench in HIV Integrase

Correlating Drug-Target Kinetics and In vivo Pharmacodynamics: Long Residence Time Inhibitors of the FabI Enoyl-ACP Reductase

AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB

Protocol for Rational Design of Covalently Interacting Inhibitors

Suchergebnisse filtern