Results 21 to 30 of about 123,989 (167)
The Journey towards Solubility Assessment of Small Molecules Using HPLC-DAD
Medical Sciences Forum, 2022 In the process of developing bioactive small molecules, solubility determination is a crucial step. Many research papers treating problems related to solubility are published, but none of them fully describes the methods and steps for solubility ...
Nada Hemmani +6 more
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Predicting human blood viscosity in silico [PDF]
Proceedings of the National Academy of Sciences, 2011 The viscosity of blood has long been used as an indicator in the understanding and treatment of disease, and the advent of modern viscometers allows its measurement with ever-improving clinical convenience. However, these advances have not been matched by theoretical developments that can yield a quantitative understanding of blood’s microrheology and ...
Dmitry A, Fedosov +4 more
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Chemistry Journal of Moldova: General, Industrial and Ecological ChemistryThis study highlights the role of computational approaches in advancing the design of corrosion inhibitors by virtually screening novel candidate molecules.
Maimoonah Khalid Qasim, Rabah Ali Khalil
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Pharmaceutics, 2023 Amyotrophic lateral sclerosis (ALS) is the most prevalent motor neuron disorder in adults, which is associated with a highly disabling condition. To date, ALS remains incurable, and the only drugs approved by the FDA for its treatment confer a limited ...
Gabriel Rodrigues Coutinho Pereira +2 more
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A comparative study of in silico prediction of pKa [PDF]
Journal of Cheminformatics, 2010 The ionization constant (pKa) is the measure of the strength of an acid or base in a solution. Most ligands act as a weak acid or base. Accurate determination of pKa is important as it can improve the pharmaceutical properties of a compound [1].
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Framework for In Silico Toxicity Screening of Novel Odorants
ToxicsToxicological risk assessment of chemicals without experimental toxicity data often relies on in silico predictions. However, models designed to predict inhalation toxicity associated with exposure to volatile chemicals in solution are unavailable.
Isaac Mohar +3 more
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In Silico Prediction of Cell Traction Forces [PDF]
2020 IEEE 17th International Symposium on Biomedical Imaging (ISBI), 2020 Traction Force Microscopy (TFM) is a technique used to determine the tensions that a biological cell conveys to the underlying surface. Typically, TFM requires culturing cells on gels with fluorescent beads, followed by bead displacement calculations. We present a new method allowing to predict those forces from a regular fluorescent image of the cell.
Nicolas Pielawski +3 more
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Partial inclusion of bis(1,10-phenanthroline)silver(I) salicylate in β-cyclodextrin: Spectroscopic characterization, in vitro and in silico antimicrobial evaluation [PDF]
Anais da Academia Brasileira de Ciências, 2020 Silver complexes containing 1,10-phenanthroline as a coordinated ligand have been of great interest due to their antibacterial and antifungal pharmacological properties. In this paper, we describe the synthesis of a new partial inclusion complex of bis(1,
EDWIN BRIÑEZ-ORTEGA +3 more
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BiomoleculesPlant virus genomes encode proteins that are involved in replication, encapsidation, cell-to-cell, and long-distance movement, avoidance of host detection, counter-defense, and transmission from host to host, among other functions.
Brandon G. Roy +2 more
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Frontiers in Physiology, 2022 BackgroundDespite the positive effects of endurance training on the cardiovascular (CV) system, excessive exercise induces not only physiological adaptations but also adverse changes in CV system, including the heart.
Ceren Eyileten +10 more
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