UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 53

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

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

ACS omega, 2016-08, Vol.1 (2), p.293-304

2016

Volltextzugriff (PDF)

Enhancing Hit Discovery in Virtual Screening through Absolute Protein–Ligand Binding Free-Energy Calculations

Journal of chemical information and modeling, 2023-05, Vol.63 (10), p.3171-3185

2023

Volltextzugriff (PDF)

Relative Binding Free Energy Calculations Applied to Protein Homology Models

Journal of chemical information and modeling, 2016-12, Vol.56 (12), p.2388-2400

2016

Volltextzugriff (PDF)

Intracellular Receptor Modulation: Novel Approach to Target GPCRs

Trends in pharmacological sciences (Regular ed.), 2018-06, Vol.39 (6), p.547-559

2018

Volltextzugriff (PDF)

Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation

Journal of chemical information and modeling, 2020-11, Vol.60 (11), p.5563-5579

2020

Volltextzugriff (PDF)

Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge

Journal of computer-aided molecular design, 2021-08, Vol.35 (8), p.901-909

2021

Volltextzugriff (PDF)

Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A3 Receptor

Journal of medicinal chemistry, 2019-04, Vol.62 (7), p.3539-3552

2019

Volltextzugriff (PDF)

Large-Scale Modeling of Sparse Protein Kinase Activity Data

Journal of chemical information and modeling, 2023-06, Vol.63 (12), p.3688-3696

2023

Volltextzugriff (PDF)

Sodium ion binding pocket mutations and adenosine A2A receptor function

Molecular pharmacology, 2015-02, Vol.87 (2), p.305-313

2015

Volltextzugriff (PDF)

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

Volltextzugriff (PDF)

Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells

Journal of chemical information and modeling, 2023-09, Vol.63 (17), p.5433-5445

2023

Volltextzugriff (PDF)

Scanning mutagenesis in a yeast system delineates the role of the NPxxY(x)(5,6)F motif and helix 8 of the adenosine A(2B) receptor in G protein coupling

Biochemical pharmacology, 2015-06, Vol.95 (4), p.290

2015

Volltextzugriff (PDF)

Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5

Journal of medicinal chemistry, 2019-12, Vol.62 (24), p.11035-11053

2019

Volltextzugriff (PDF)

Getting from A to B—exploring the activation motifs of the class B adhesion G protein‐coupled receptor subfamily G member 4/GPR112

The FASEB journal, 2016-05, Vol.30 (5), p.1836-1848

2016

Volltextzugriff (PDF)

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

MedChemComm, 2015-01, Vol.6 (1), p.24-5

2015

Volltextzugriff (PDF)

Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2

Journal of medicinal chemistry, 2018-10, Vol.61 (20), p.9146-9161

2018

Volltextzugriff (PDF)

Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor

Journal of chemical information and modeling, 2014-06, Vol.54 (6), p.1737-1746

2014

Volltextzugriff (PDF)

Structure–Affinity Relationships and Structure–Kinetics Relationships of Pyrido[2,1‑f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists

Journal of medicinal chemistry, 2017-09, Vol.60 (17), p.7555-7568

2017

Volltextzugriff (PDF)

Structure-kinetics relationships of Capadenoson derivatives as adenosine A1 receptor agonists

European journal of medicinal chemistry, 2015-08, Vol.101, p.681-691

2015

Volltextzugriff (PDF)

Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors

Journal of chemical information and modeling, 2020-09, Vol.60 (9), p.4283-4295

2020

Volltextzugriff (PDF)

Discovery and mapping of an intracellular antagonist binding site at the chemokine receptor CCR2

Molecular pharmacology, 2014-10, Vol.86 (4), p.358-368

2014

Volltextzugriff (PDF)

5′-Substituted Amiloride Derivatives as Allosteric Modulators Binding in the Sodium Ion Pocket of the Adenosine A2A Receptor

Journal of medicinal chemistry, 2016-05, Vol.59 (10), p.4769-4777

2016

Volltextzugriff (PDF)

Removal of Human Ether-à-go-go Related Gene (hERG) K+ Channel Affinity through Rigidity: A Case of Clofilium Analogues

Journal of medicinal chemistry, 2013-12, Vol.56 (23), p.9427-9440

2013

Volltextzugriff (PDF)

1 – 25 von 53

Suche als RSS-Feed

Aktive Filter

KollektionScienceDirect

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(53)
Mit Volltextzugriff
(53)

Publikationsform

Artikel
(53)

Sprache

Englisch
(53)
Japanisch
(2)

Erscheinungsjahr

n.n

Thema

Science & Technology
(25)
Life Sciences & Biomedicine
(20)
Humans
(19)
Pharmacology & Pharmacy
(18)
Chemistry
(13)
Chemistry, Medicinal
(13)
Computer Science
(11)
Ligands
(11)
Physical Sciences
(11)
Technology
(11)
Chemistry, Multidisciplinary
(10)
Computer Science, Information Systems
(10)
Computer Science, Interdisciplinary Applications
(10)
Molecular Docking Simulation
(9)
Protein Binding
(8)
Structure-Activity Relationship
(8)
Proteins
(7)
Binding Sites
(6)
Molecular Structure
(6)
Protein Conformation
(6)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

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

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

Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

Enhancing Hit Discovery in Virtual Screening through Absolute Protein–Ligand Binding Free-Energy Calculations

Relative Binding Free Energy Calculations Applied to Protein Homology Models

Intracellular Receptor Modulation: Novel Approach to Target GPCRs

Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation

Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge

Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A3 Receptor

Large-Scale Modeling of Sparse Protein Kinase Activity Data

Sodium ion binding pocket mutations and adenosine A2A receptor function

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

Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells

Scanning mutagenesis in a yeast system delineates the role of the NPxxY(x)(5,6)F motif and helix 8 of the adenosine A(2B) receptor in G protein coupling

Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5

Getting from A to B—exploring the activation motifs of the class B adhesion G protein‐coupled receptor subfamily G member 4/GPR112

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2

Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor

Structure–Affinity Relationships and Structure–Kinetics Relationships of Pyrido[2,1‑f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists

Structure-kinetics relationships of Capadenoson derivatives as adenosine A1 receptor agonists

Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors

Discovery and mapping of an intracellular antagonist binding site at the chemokine receptor CCR2

5′-Substituted Amiloride Derivatives as Allosteric Modulators Binding in the Sodium Ion Pocket of the Adenosine A2A Receptor

Removal of Human Ether-à-go-go Related Gene (hERG) K+ Channel Affinity through Rigidity: A Case of Clofilium Analogues

Aktive Filter

Suchergebnisse filtern