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ChemAxon more than 20 years in software development
Judit Kerekgyarto introduces the company and shines a spotlight on its history, products and main...
Webinar: See IP Differently – Using the power of visualized intellectual property intelligence to guide your molecular research strategy
With pressure on chemists to reduce the cost, time and risks of development, the need for...
Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids
Neonicotinoids are the fastest-growing class of insecticides successfully applied in plant...
C-H Functionalizations by Palladium Carboxylates: The Acid Effect
Finding optimal reaction conditions is usually complex, requires many experiments, and is therefore...
In silico study of 4- phosphorylated derivatives of 1,3-oxazole as inhibitors of Candida albicans fructose-1,6- bisphosphate aldolase II
In this study, the synthesis, in vitro anti-Candida activity and molecular modeling of...
Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs
ABSTRACT: A well-behaved model chemistry previously validated for the study of the chemical...
Nuclear Receptors Database Including Negative Data (NR-DBIND): A Database Dedicated to Nuclear Receptors Binding Data Including Negative Data and Pharmacological Profile
Nuclear receptors (NRs) are transcription factors that regulate gene expression in various...
Synthesis, structural, spectroscopic and DFT study on a palladium(II)- N-heterocyclic carbene complex
A new palladium complex with N-heterocyclic carbene (NHC) and phosphine ligands was prepared and...
Combined Ligand- and Receptor-Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors
Protein tyrosine phosphatase 1B (PTP1B) is a potential drug target for diabetes and obesity....
Evaluation of commercially available styrene-co-maleic acid polymers for the extraction of membrane proteins from spinach chloroplast thylakoids
ABSTRACT: Solubilization of membrane proteins by poly(styrene-co-maleic acid) salts (pSMA-S) has...
N-haloacetyl phenothiazines and derivatives: Preparation, characterization and structure-activity relationship for antifungal activity
ABSTRACT: A serie of N-acetyl phenothiazines and related compounds was synthesized by means of the...
Discovery of small molecule inhibitors of adenovirus by disrupting E3-19K/ HLA-A2 interactions
The binding of the adenovirus (Ad) protein E3-19K with the human leukocyte antigen (HLA) plays an...