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 ...

The Bader charge on H8B in P1 is 0.4244e, decreasing only slightly to 0.3785e in P3, while the charge on O3 shifts from −1.0477e to −0.9100e. These relatively minor changes suggest that the ...

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 ...

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 ...

Interview with Trevor Fleming, Global Emissions Lead at Score, a D2Zero company. When Trevor Fleming speaks about emissions, there’s no mistaking the urgency in his voice.

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 ...

We aimed to describe the clinical and molecular phenotype of CUPs with a lung cancer profile enrolled in SUPER ... Within the cohort we identified 76/449 (17%) CUP pts with a lung cancer profile who ...