Molecular Oncology, EarlyView.Partial inhibition of focal adhesion kinase (FAK) can paradoxically promote tumor growth, rather than simply producing a weaker antitumor effect than that observed with strong FAK suppression. In breast cancer and melanoma models, targeting p110δ PI3K, particularly in macrophages, counteracted these tumor‐promoting effects, highlighting the importance ...
Lydia Xenou +4 more
wiley +1 more source
Development of more accurate computational methods within linear-scaling density functional theory
Kohn-Sham Density Functional Theory (DFT) provides a method for electronic structure calculations applicable to a wide variety of systems. Traditional implementations of DFT are cubic-scaling which limits the size of the systems that can be studied ...
Hill, Quintin
core +1 more source
Electron Affinity of Actinide (IV) Carboxylate Complexes From MN12-L Density-Functional Calculations and Explainable Machine Learning. [PDF]
J Comput ChemKhairbek AA +5 more
europepmc +1 more source
The accuracy of standard enthalpies and entropies for phases of petrological interest derived from density-functional calculations. [PDF]
Contrib Mineral Petrol, 2018 Benisek A, Dachs E.
europepmc +1 more source
Unraveling the epigenetic code in cancer cell–tumor microenvironment crosstalk
Molecular Oncology, EarlyView.Epigenetic regulation is a key driver of cancer development and progression. Diverse epigenetic alterations in cancer cells and components of the tumor microenvironment (TME) orchestrate their communication through multiple mechanisms. We discuss how the epigenetic code coordinates bidirectional cancer cell–TME crosstalk to promote cancer progression ...
Ji Hoon Park, Mi‐Young Kim
wiley +1 more source
Elucidating metal (Zr, Hf, Th, U)-hydride covalency using <sup>1</sup>H NMR chemical shifts and density functional calculations. [PDF]
Commun ChemKaumini MG +4 more
europepmc +1 more source
Anomalous Lattice Dynamics in AgC4N3: Insights From Inelastic Neutron Scattering and Density Functional Calculations. [PDF]
Front Chem, 2018 Singh B +7 more
europepmc +1 more source
Molecular Oncology, EarlyView.Arginine methylation can be viewed as a persistence‐prone post‐translational modification regulated by a network of PRMTs. Competitive and compensatory interactions among PRMTs can redistribute methylation across substrate pools shaped by sequence, structural, spatial, and environmental layers, reinforcing RNA‐processing, chromatin, and signaling ...
So Hyun Kwon, Ji Min Lee
wiley +1 more source
Molecular Oncology, EarlyView.In head and neck squamous cell carcinoma (HNSCC) p53 and p63 exert opposite roles on the transcription regulation of the lncRNA NEAT1. Under basal conditions, p53 levels are low and p63 represses NEAT1 expression. Upon genotoxic stress, p53 is rapidly induced, displacing p63 from the NEAT1 promoter leading to NEAT1 transcriptional activation and ...
Sara De Domenico +5 more
wiley +1 more source
Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations. [PDF]
J Chem Theory ComputWoo J, Youn Kim W, Choi S.
europepmc +1 more source