Results 121 to 130 of about 112,364 (305)

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.
europepmc   +1 more source

Demonstration of initial-state dependence in time-dependent density-functional theory [PDF]

, 2001
Neepa T. Maitra, Kieron Burke
openalex   +1 more source

Survivin and Aurora Kinase A control cell fate decisions during mitosis

Molecular Oncology, EarlyView.
Aurora A interacts with survivin during mitosis and regulates its centromeric role. Loss of Aurora A activity mislocalises survivin, the CPC and BubR1, leading to disruption of the spindle checkpoint and triggering premature mitotic exit, which we refer to as ‘mitotic slippage’.
Hana Abdelkabir, Shalitha Wickrama Arachchige, Sally P. Wheatley   +2 more
wiley   +1 more source

State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin-Orbit Coupling: Benchmark and Perspectives. [PDF]

JACS Au, 2023
Liao C, Kasper JM, Jenkins AJ, Yang P, Batista ER, Frisch MJ, Li X.   +6 more
europepmc   +1 more source

KEY CONCEPTS IN TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY [PDF]

, 2001
Robert van Leeuwen
openalex   +1 more source

Characterization of WAC interactions with R2TP and TTT chaperone complexes linking glucose and glutamine availability to mTORC1 activity

FEBS Open Bio, EarlyView.
TTT and R2TP chaperone complexes are required for the assembly and activation of mTORC1. WAC directly interacts with components of TTT, R2TP, and mTORC1, and these interactions are affected by the availability of glucose and glutamine, correlating with changes in mTORC1 activity.
Sofía Cabezudo, Natalia Cuervo, Carmen García‐Martín, Andrés López‐Perrote, Clara Reglero, Adrián Maqueda‐Real, Ana González‐Corpas, Marina Serna, Diego Megías, Alejo Efeyan, Solip Park, Oscar Llorca   +11 more
wiley   +1 more source

Combining Time-Dependent Density Functional Theory and the ΔSCF Approach for Accurate Core-Electron Spectra. [PDF]

J Chem Theory Comput, 2022
Annegarn M, Kahk JM, Lischner J.
europepmc   +1 more source

Excited state polarizabilities of conjugated molecules calculated using time dependent density functional theory [PDF]

, 2001
Ferdinand C. Grozema, R. Telesca, Harry T. Jonkman, L. D. A. Siebbeles, J. G. Snijders   +4 more
openalex   +1 more source

Blocking the voltage‐gated sodium channel hNav1.5 as a novel pH‐dependent mechanism of action for tamoxifen

FEBS Open Bio, EarlyView.
Patch‐clamp recordings revealed that tamoxifen inhibits voltage‐gated sodium channels, especially under acidic conditions, both common in metastatic cancer cells. These effects may explain certain antitumor properties of tamoxifen, highlighting a novel mechanism of action beyond its known endocrine effects.
Karl Josef Föhr, Michael Fauler, Thomas Zimmer, Bettina Jungwirth, Hubert Schrezenmeier, David Alexander Christian Messerer   +5 more
wiley   +1 more source

Optimization of density fitting auxiliary Slater-type basis functions for time-dependent density functional theory. [PDF]

J Comput Chem, 2022
Medves M, Fronzoni G, Stener M.
europepmc   +1 more source