Results 201 to 210 of about 2,072,080 (375)

Supplementary material from "Mechanistic investigations on Pinnick oxidation: a density functional theory study"

, 2020
Moaed E. Al‐Gazally, Al-Hadedi, Azzam A. M., Mahrath, Alaa J., Moustafa, Gamal A. I., Almalki, Faisal A., Alqahtani, Alaa, Shityakov, Sergey, Moaed E. Algazally   +7 more
openalex   +1 more source

Microglial dynamics and ferroptosis induction in human iPSC‐derived neuron–astrocyte–microglia tri‐cultures

FEBS Open Bio, EarlyView.
A tri‐culture of iPSC‐derived neurons, astrocytes, and microglia treated with ferroptosis inducers as an Induced ferroptosis model was characterized by scRNA‐seq, cell survival, and cytokine release assays. This analysis revealed diverse microglial transcriptomic changes, indicating that the system captures key aspects of the complex cellular ...
Hongmei Lisa Li, Hiroko Ohmiya, Sou Sakamoto, Masato Yugami, Akiko Oki, Makoto Furusawa, Yan Ling   +6 more
wiley   +1 more source

Fisher Information Density Functional Theory. [PDF]

J Comput Chem
Nagy Á.
europepmc   +1 more source

Density Functional Theory Transition-State Modeling for the Prediction of Ames Mutagenicity in 1,4 Michael Acceptors

, 2019
Piers A. Townsend, Matthew N. Grayson
openalex   +1 more source

Multi‐omics and low‐input proteomics profiling reveals dynamic regulation driving pluripotency initiation in early mouse embryos

FEBS Open Bio, EarlyView.
Mouse pre‐implantation development involves a transition from totipotency to pluripotency. Integrating transcriptomics, epigenetic profiling, low‐input proteomics and functional assays, we show that eight‐cell embryos retain residual totipotency features, whereas cytoskeletal remodeling regulated by the ubiquitin‐proteasome system drives progression ...
Wanqiong Li, Xi Xiao, Lingbin Qi, Chanyi Li, Sirui Song, Jiaying Qin, Zhigang Xue, Jinfeng Xue, Huaifang Li   +8 more
wiley   +1 more source

Towards the selectivity and energetics of anti-Bredt olefins - a density functional theory approach. [PDF]

RSC Adv
Chakraborty P, Alam J, Poulose B, Ramakrishnan S, Anjukandi P.   +4 more
europepmc   +1 more source

Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules

, 2011
Marco A. García‐Revilla, E. Francisco, Aurora Costales, Ángel Martín Pendás   +3 more
openalex   +2 more sources

Gradient Flow Based Discretized Kohn-Sham Density Functional Theory [PDF]

, 2019
Xiaoying Dai, Qiao Wang, Aihui Zhou
openalex   +1 more source

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators.

Physical Review B (Condensed Matter), 1995
A. Liechtenstein, V. Anisimov, J. Zaanen
semanticscholar   +1 more source

Patatin‐domain‐containing (phospho)lipases under control: Mammalian co‐regulators and pathogenic activation mechanisms

FEBS Open Bio, EarlyView.
Patatin domain‐containing (phospho)lipases are lipid‐hydrolyzing enzymes central to metabolism, membrane remodeling, and signaling. Their activity relies on precise co‐activation mechanisms involving protein–protein interactions and conformational rearrangements.
Noopur Dubey, Lina Riegler‐Berket, Monika Oberer   +2 more
wiley   +1 more source