We assess the performance of molecular density functional theory (MDFT) to predict hydration free energies of the small drug-like molecules benchmark, FreeSolv. The MDFT in the hypernetted chain ...

(9) A comparative analysis of electron density distributions and intermolecular interactions in the P1 and P3 phases reveals significant differences in hydrogen bonding networks, particularly those ...

in the case of general equilibrium (3). Thus, when [HA - (n - 1)] = [A - n], the pH is equal to the pK.. II.2 Experimental. II.2.1 Potentiometric and conductimetric measurements. The potentiometric ...

For pt.I see ibid.(vol.11 no.3 p.481-90, 2004). In order to validate a nonthermal plasma model using nitrogen in a ferroelectric packed-bed reactor, the number density of the excited nitrogen ...

Brazilian prosecutors filed Thursday criminal charges against the man accused of ordering the 2022 killings of Indigenous peoples expert Bruno Pereira and British journalist Dom Phillips in the ...

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Exploring the mutational and molecular profile of pancreatic cancer: A comprehensive genomics approach.. JCO 43 , e16417-e16417 (2025). DOI: 10.1200/JCO.2025.43.16_suppl.e16417 ...

Coffee does more than boost your energy. A few daily cups of coffee may also lower your risk of type 2 diabetes and depression, support weight management, and help you live a longer life.

A multimodal analysis of CT radiomics and clinical variables in predicting immunotherapy response for NSCLC.