Results 171 to 180 of about 827,605 (367)

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

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

Assessment of exchange-correlation functionals for the calculation of dynamical properties of small clusters in time-dependent density functional theory [PDF]

, 2001
Miguel A. L. Marques, Alberto Castro, Ángel Rubio   +2 more
openalex   +1 more source

Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy. [PDF]

J Phys Chem Lett, 2023
Moitra T, Konecny L, Kadek M, Rubio A, Repisky M.   +4 more
europepmc   +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

Applying the Liouville–Lanczos method of time-dependent density-functional theory to warm dense matter

Matter and Radiation at Extremes
Ab initio modeling of dynamic structure factors (DSF) and related density response properties in the warm dense matter (WDM) regime is a challenging computational task.
Zhandos A. Moldabekov, Sebastian Schwalbe, Thomas Gawne, Thomas R. Preston, Jan Vorberger, Tobias Dornheim   +5 more
doaj   +1 more source

Time-dependent density-functional theory for strong-field multiphoton processes: Application to the study of the role of dynamical electron correlation in multiple high-order harmonic generation

, 1998
Xiao‐Min Tong, Shih‐I Chu
openalex   +2 more sources

Excitonic Optical Spectrum of Semiconductors Obtained by Time-Dependent Density-Functional Theory with the Exact-Exchange Kernel [PDF]

, 2002
Yong‐Hoon Kim, Andreas Görling
openalex   +1 more source

Absorption Spectra of Flexible Fluorescent Probes by a Combined Computational Approach: Molecular Dynamics Simulations and Time-Dependent Density Functional Theory. [PDF]

J Phys Chem A, 2022
Di Grande S, Ciofini I, Adamo C, Pagliai M, Cardini G.   +4 more
europepmc   +1 more source

Menthol‐like cooling compounds, including (R)‐(‐)‐carvone, inhibit the human bitter taste receptors for saccharin and acesulfame K

FEBS Open Bio, EarlyView.
We report that some menthol‐like cooling compounds, including (R)‐(‐)‐carvone, act as inhibitors of TAS2R31 and TAS2R43, which are taste receptors responsible for the intrinsic bitter aftertastes of saccharin and acesulfame K. However, there was little correlation between the intensity of the cooling sensation and the potency of bitterness inhibition ...
Miyuu Saito, Takumi Misaka
wiley   +1 more source