Electron Dynamics in Open Quantum Systems: The Driven Liouville-von Neumann Methodology within Time-Dependent Density Functional Theory. [PDF]
J Chem Theory Comput, 2023 Oz A, Nitzan A, Hod O, Peralta JE.
europepmc +1 more source
Molecular Oncology, EarlyView.In prostate carcinoma, lactic acid, secreted by highly glycolytic cancer‐associated fibroblasts, is imported into tumor cells through the MCT1 transporter and prevents RSL3 and erastin‐induced ferroptosis (A). Targeting of carbonic anhydrase IX/XII, the main extracellular pH regulators, in tumor and stromal cells reduces microenvironmental acidosis and
Elisa Pardella +18 more
wiley +1 more source
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory: Multireference Advantages with the Practicality of Linear Response Theory. [PDF]
J Phys Chem Lett, 2023 Park W, Komarov K, Lee S, Choi CH.
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Exploring the role of cyclin D1 in the pathogenesis of multiple myeloma beyond cell cycle regulation
Molecular Oncology, EarlyView.Cyclin D1 overexpression altered the cell adhesion pathway, while cyclin D2 upregulation had less impact on pathway enrichment analysis. Multiple myeloma (MM) patients with cyclin D1 overexpression showed reduced CD56 expression and increased circulating tumor cells (CTC) levels, suggesting that cyclin D1 may contribute to MM cell dissemination ...
Ignacio J. Cardona‐Benavides +13 more
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KEY CONCEPTS IN TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY [PDF]
, 2001 Robert van Leeuwen
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Retraction: Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models. [PDF]
RSC Adv, 2023 Hancock AC, Goerigk L.
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Molecular Oncology, EarlyView.Screening 166 FDA‐approved anticancer drugs identifies the aromatase inhibitor Exemestane as a synergistic partner of PARP inhibitor Olaparib in BRCA‐proficient triple‐negative breast cancer. Exemestane induces ROS‐mediated replication stress, enhancing DNA damage and apoptosis alongside Olaparib.
Nur Aininie Yusoh +5 more
wiley +1 more source
Time-dependent density-functional theory for molecular processes in strong fields: Study of multiphoton processes and dynamical response of individual valence electrons of
, 2001 Xi Chu, Shih‐I Chu
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Recent Advances in Real-Time Time-Dependent Density Functional Theory Simulations of Plasmonic Nanostructures and Plasmonic Photocatalysis. [PDF]
ACS Nanosci Au, 2023 Herring CJ, Montemore MM.
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Molecular Oncology, EarlyView.RKIP, a metastasis suppressor protein, modulates key oncogenic pathways in lung adenocarcinoma. In silico analyses linked low RKIP expression to poor survival. Functional studies revealed RKIP overexpression reduces tumor aggressiveness and enhances sensitivity to EGFR‐targeted therapies, while its loss promotes resistance.
Ana Raquel‐Cunha +10 more
wiley +1 more source