Results 211 to 220 of about 596,267 (361)

Correction to "Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not See". [PDF]

J Am Chem Soc
Khabibrakhmanov A, Gori M, Müller C, Tkatchenko A.   +3 more
europepmc   +1 more source

Electronic and thermal properties of wide bandgap materials from density functional theory

Tianshi Wang
openalex   +2 more sources

Inhibitive action of Chamomile extract on the corrosion of Iron: Density Functional Theory

, 2017
Ghassab M. Al‐Mazaideh, Saleh A. Al-Quran   +1 more
openalex   +1 more source

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source

Electronic transport in radial π-conjugated macrocyclic molecules: a density functional theory study. [PDF]

RSC Adv
Govindarajan S, Ramya K, Ravva MK, Mukhopadhyay S.   +3 more
europepmc   +1 more source

Diffuse scattering, spectroscopy and ab initio density functional theory [PDF]

, 2016
M. Gutmann
openalex   +1 more source

Hyperosmotic stress‐induced redistribution of pre‐mRNA cleavage factor I subunits is associated with shifts in alternative polyadenylation

FEBS Open Bio, EarlyView.
Hyperosmotic stress triggers the relocation of the CFIm complex from the nucleus to the cytoplasm. This shift creates a nuclear ‘stoichiometric bottleneck’, limiting CFIm availability for mRNA processing. Consequently, specific mRNAs like NUDT21 and DICER1 undergo targeted 3′UTR shortening, demonstrating how spatial protein dynamics drive rapid ...
Hitomi Soumiya, Masatake Osawa, Hidefumi Fukumitsu   +2 more
wiley   +1 more source

Investigation of Hf Adatom Adsorption on Graphene Using Density Functional Theory Calculations

, 2012
Kengo Nakada, Takahiro Torobu, Akira Ishii   +2 more
openalex   +2 more sources

Effects of IGFBP4 deficiency on human preadipocyte proliferation and differentiation through the IGF1R/AKT pathway

FEBS Open Bio, EarlyView.
IGFBP4 knockdown (KD) impairs preadipocyte proliferation and is associated with IGF1R protein downregulation and attenuated AKT phosphorylation. The mechanisms by which IGFBP4 KD influences the IGF1R/AKT signaling pathway involve newly synthesized proteins and lysosomal degradation pathways. Created in BioRender.
Yujia Guo, Sandy Richter, Christoph Bach, Wieland Kiess, Anna Kirstein, Diana Le Duc, Antje Garten   +6 more
wiley   +1 more source

Enhancing the efficiency of time-dependent density functional theory calculations of dynamic response properties. [PDF]

NPJ Comput Mater
Moldabekov ZA, Schwalbe S, Acosta UH, Gawne T, Vorberger J, Pavanello M, Dornheim T.   +6 more
europepmc   +1 more source