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33.616  Articles
1 of 3.363 pages  |  10  records  |  more records»
In this study we investigated the relationship between the calcium channel blockers (CCBs), amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem, and their calculated molecular descriptors: polar su... see more

The plasma protein binding (PPB) data of twelve antipsychotics (aripiprazole, clozapine, olanzapine, quetiapine, risperidone, sertindole, ziprasidone, chlorpromazine, flupentixol, fluphenazine, haloperidol, zuclopenthixol) were estimated using computed mo... see more

Low-molecular-weight chondroitin sulfate was obtained by degradation of chondroitin sulfate using hyaluronidase. Then, separated with sephadex G25, DEAE-52, and finally purified with AKATA superpeptide separation system and fluorescence-assisted carbohydr... see more

The PubChem library houses structural data for more than 100 million molecules. Simulations of molecular properties are both computationally and financially expensive. In the first phase of this research, we demonstrated how supervised learning could be u... see more

Thermodynamic properties of sickled and normal hemoglobin protein are considered within the framework of classical molecular dynamics. Here we have studied the specific heat capacity and RMSD (Root Mean Square Deviation) of both types of hemoglobin protei... see more

The study of the structural conformation of Gamma-aminobutyric acid (GABA) exhibits its biological and chemical activities. The GABA molecule is responsible for neurotransmission from one neuron to another neuron and activates the ion channels to pass the... see more

Antifungal agents are the group of drugs commonly prescribed in the treatment of fungal infections, which are widely spread among the global popu­lation. Their properties, such as absorption, distribution, metabolism, route of elimination or plasma protei... see more

In the present work, the free base, cationic and hydrochloride species of the anti-histaminic diphenhydramine drug were theoretically studied by using the hybrid B3LYP/6-311++G** calculations in the gas phase and the experimental available infrared and Ra... see more

The thermal, morphological and mechanical properties of polypropylene blends as influenced by the molecular weight and tacticity were investigated. Polypropylene sample blends (50/50 wt.%) were injection moulded into standard disks for morphological ... see more

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