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Integrated design and idea management platform for drug discovery
Drug discovery is an iterative process of rational hypothesis construction and validation through...
EDCs DataBank: 3D-Structure database of endocrine disrupting chemicals
Endocrine disrupting chemicals (EDCs) are a group of compounds that affect the endocrine system,...
Highly Potent, Stable, and Selective Dimeric Hetarylpropylguanidine-Type Histamine H2 Receptor Agonists
On the basis of the long-known prototypic pharmacophore 3-(1H-imidazol-4-yl)propylguanidine (SK&F...
A comparison of equilibrium and kinetic passive sampling for monitoring of aquatic organic contaminants in German rivers
The performances of an equilibrium and a kinetic passive sampler for monitoring a range of organic...
Neo-Chlorogenic Acid: Conformational and Molecular Analysis by Semi-Empirical Methods
This paper shows results regarding semiempiric results for neochlorogenic acid, from geometrical...
The flexible cytoplasmic loop 3 contributes to the substrate affinity of human monocarboxylate transporters
Human monocarboxylate transporters (hMCTs/SLC16As) mediate the transport of small molecular weight...
Chemical Intelligence That Makes Hidden Knowledge Effortlessly Reachable
The knowledge, that is being produced and stored in the forms of reports, patents and scientific...
Enhancing glycan isomer separations with metal ions and positive and negative polarity ion mobility spectrometry-mass spectrometry analyses
Glycomics has become an increasingly important field of research since glycans play critical roles...
Tandem Mass Spectrometry and Ion Mobility Reveals Structural Insight into Eicosanoid Product Ion Formation
Ion mobility measurements of productions were used to characterize the collisional cross section...
High-throughput screens for agonists of bone morphogenetic protein (BMP) signaling identify potent benzoxazole compounds
Bone morphogenetic protein (BMP) signaling is critical in renal development and disease. In animal...
In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs
To discover new inhibitors against the human colon carcinoma HCT116 cell line, two quantitative...
Inhibitory effects of arylcoumarin derivatives on Bacteroides fragilis D-lactate dehydrogenase
Bacteroides fragilis is an anaerobic bacterium naturally hosted in the human colon flora. B....