UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 120

Sortiert nach

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

Journal of cheminformatics, 2017-08, Vol.9 (1), p.45-45, Article 45

2017

Link zum Volltext

Verfügbarkeit prüfen

An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor

Journal of cheminformatics, 2019-05, Vol.11 (1), p.1-16, Article 35

2019

Link zum Volltext

Verfügbarkeit prüfen

DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology

Journal of cheminformatics, 2021-11, Vol.13 (1), p.85-85, Article 85

2021

Link zum Volltext

Verfügbarkeit prüfen

Computational Characterization of Membrane Proteins as Anticancer Targets: Current Challenges and Opportunities

International journal of molecular sciences, 2024-04, Vol.25 (7), p.3698

2024

Link zum Volltext

Verfügbarkeit prüfen

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel

Bioinformatics, 2016-01, Vol.32 (1), p.85-95

2016

Link zum Volltext

Verfügbarkeit prüfen

Development of Ubiquitin‐Based Probe for Metalloprotease Deubiquitinases

Angewandte Chemie International Edition, 2019-10, Vol.58 (41), p.14477-14482

International ed. in English, 2019

Link zum Volltext

Verfügbarkeit prüfen

Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP

Scientific reports, 2017-11, Vol.7 (1), p.15307-13, Article 15307

2017

Link zum Volltext

Verfügbarkeit prüfen

Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition

Scientific reports, 2021-07, Vol.11 (1), p.14171-14171, Article 14171

2021

Link zum Volltext

Verfügbarkeit prüfen

The association between body temperature and electrocardiographic parameters in normothermic healthy volunteers

Pacing and clinical electrophysiology, 2021-01, Vol.44 (1), p.44-53

2021

Link zum Volltext

Verfügbarkeit prüfen

Advances and Challenges in Computational Target Prediction

Journal of chemical information and modeling, 2019-05, Vol.59 (5), p.1728-1742

2019

Link zum Volltext

Verfügbarkeit prüfen

UnCorrupt SMILES: a novel approach to de novo design

Journal of cheminformatics, 2023-02, Vol.15 (1), p.22-22, Article 22

2023

Link zum Volltext

Verfügbarkeit prüfen

Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development

PloS one, 2011-11, Vol.6 (11), p.e27518-e27518

2011

Link zum Volltext

Verfügbarkeit prüfen

Cancer-Associated Mutations of the Adenosine A2A Receptor Have Diverse Influences on Ligand Binding and Receptor Functions

Molecules (Basel, Switzerland), 2022-07, Vol.27 (15), p.4676

2022

Link zum Volltext

Verfügbarkeit prüfen

Chemical genetics strategy to profile kinase target engagement reveals role of FES in neutrophil phagocytosis

Nature communications, 2020-06, Vol.11 (1), p.3216-3216, Article 3216

2020

Link zum Volltext

Verfügbarkeit prüfen

Cancer-Related Somatic Mutations in Transmembrane Helices Alter Adenosine A1 Receptor Pharmacology

Molecules (Basel, Switzerland), 2022-06, Vol.27 (12), p.3742

2022

Link zum Volltext

Verfügbarkeit prüfen

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

PLoS computational biology, 2021-11, Vol.17 (11), p.e1009152-e1009152

2021

Link zum Volltext

Verfügbarkeit prüfen

Potent Inhibition of Nicotinamide N‑Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics

Journal of medicinal chemistry, 2021-09, Vol.64 (17), p.12938-12963

2021

Link zum Volltext

Verfügbarkeit prüfen

Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling

Journal of cheminformatics, 2019-02, Vol.11 (1), p.15-10, Article 15

2019

Link zum Volltext

Verfügbarkeit prüfen

CalcAMP: A New Machine Learning Model for the Accurate Prediction of Antimicrobial Activity of Peptides

Antibiotics (Basel), 2023-04, Vol.12 (4), p.725

2023

Link zum Volltext

Verfügbarkeit prüfen

3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

Journal of cheminformatics, 2023-08, Vol.15 (1), p.74-74, Article 74

2023

Link zum Volltext

Verfügbarkeit prüfen

Computational Approaches for De Novo Drug Design: Past, Present, and Future

Methods in molecular biology (Clifton, N.J.), 2021-01, Vol.2190, p.139

2021

Link zum Volltext

Verfügbarkeit prüfen

Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data

PLoS computational biology, 2013-02, Vol.9 (2), p.e1002899-e1002899

2013

Link zum Volltext

Verfügbarkeit prüfen

A multiple classifier system identifies novel cannabinoid CB2 receptor ligands

Journal of cheminformatics, 2019-11, Vol.11 (1), p.66-14, Article 66

2019

Link zum Volltext

Verfügbarkeit prüfen

Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome–Inhibitor Interaction Landscapes

Journal of chemical information and modeling, 2019-03, Vol.59 (3), p.1221-1229

2019

Link zum Volltext

Verfügbarkeit prüfen

Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?

Journal of chemical information and modeling, 2016-09, Vol.56 (9), p.1654-1675

2016

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 120

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(116)
Mit Volltextzugriff
(112)

Publikationsform

Artikel
(119)
Buchkapitel
(1)

Sprache

Englisch
(120)
Japanisch
(18)

Erscheinungsjahr

n.n

Thema

Science & Technology
(86)
Life Sciences & Biomedicine
(63)
Chemistry
(37)
Pharmacology & Pharmacy
(37)
Physical Sciences
(35)
Computer Science
(31)
Humans
(30)
Chemistry, Multidisciplinary
(29)
Technology
(27)
Computer Science, Interdisciplinary Applications
(25)
Computer Science, Information Systems
(24)
Biochemistry & Molecular Biology
(23)
Chemistry, Medicinal
(23)
Proteins
(23)
Machine Learning
(22)
Ligands
(21)
Chemistry And Materials Science
(15)
Computational Biology/bioinformatics
(14)
Computer Applications In Chemistry
(14)
Documentation And Information In Chemistry
(14)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 7 Tagen
(1)
... seit 30 Tagen
(3)

Menü

Weitere Dienste

Einstellungen

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor

DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology

Computational Characterization of Membrane Proteins as Anticancer Targets: Current Challenges and Opportunities

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel

Development of Ubiquitin‐Based Probe for Metalloprotease Deubiquitinases

Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP

Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition

The association between body temperature and electrocardiographic parameters in normothermic healthy volunteers

Advances and Challenges in Computational Target Prediction

UnCorrupt SMILES: a novel approach to de novo design

Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development

Cancer-Associated Mutations of the Adenosine A2A Receptor Have Diverse Influences on Ligand Binding and Receptor Functions

Chemical genetics strategy to profile kinase target engagement reveals role of FES in neutrophil phagocytosis

Cancer-Related Somatic Mutations in Transmembrane Helices Alter Adenosine A1 Receptor Pharmacology

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

Potent Inhibition of Nicotinamide N‑Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics

Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling

CalcAMP: A New Machine Learning Model for the Accurate Prediction of Antimicrobial Activity of Peptides

3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

Computational Approaches for De Novo Drug Design: Past, Present, and Future

Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data

A multiple classifier system identifies novel cannabinoid CB2 receptor ligands

Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome–Inhibitor Interaction Landscapes

Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?

Suchergebnisse filtern