Results 111 to 120 of about 1,809,685 (327)

Revealing the structure of land plant photosystem II: the journey from negative‐stain EM to cryo‐EM

FEBS Letters, EarlyView.
Advances in cryo‐EM have revealed the detailed structure of Photosystem II, a key protein complex driving photosynthesis. This review traces the journey from early low‐resolution images to high‐resolution models, highlighting how these discoveries deepen our understanding of light harvesting and energy conversion in plants.
Roman Kouřil
wiley   +1 more source

Using the local density approximation and the LYP, BLYP, and B3LYP functionals within Reference--State One--Particle Density--Matrix Theory

, 2003
For closed-shell systems, the local density approximation (LDA) and the LYP, BLYP, and B3LYP functionals are shown to be compatible with reference-state one-particle density-matrix theory, where this recently introduced formalism is based on Brueckner ...
Blaizot J-P, Brueckner KA, Dreizler RM, Ellis DE, Gelfand IM, Gross EKU, Handy NC, Harris FE, Hirao K, James P. Finley, Kobe DH, Lindgren I, Lindgren I, Löwdin P-O, Löwdin P-O, Parr RG, Schaefer III HF, Seminario J, Shäfer L, Springborg M, Szabo A   +20 more
core   +1 more source

Density Functional Theory for Battery Materials

Energy & Environmental Materials, 2019
Batteries are the most widely used energy storage devices, and the lithium‐ion battery is the most heavily commercialized and most widely used battery type in the industry. However, the current rapid development of society requires a major advancement in
Qiu He, Bin Yu, Zhaohuai Li, Yan Zhao
semanticscholar   +1 more source

Mapping the evolution of mitochondrial complex I through structural variation

FEBS Letters, EarlyView.
Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin, Tingting Chen, James A. Letts   +2 more
wiley   +1 more source

Joint density-functional theory for electronic structure of solvated systems

, 2007
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment.
C. J. Cramer, David Roundy, J. K. Percus, J. Seminario, J. Tomasi, J. Tomasi, J.-L. Rivail, Jean-Francois Briere, R. Ramirez, S. A. Petrosyan, T. A. Arias   +10 more
core   +1 more source

Plasmodium falciparum gametogenesis essential protein 1 (GEP1) is a transmission‐blocking target

FEBS Letters, EarlyView.
This study shows Plasmodium falciparum GEP1 is vital for activating sexual stages of malarial parasites even independently of a mosquito factor. Knockout parasites completely fail gamete formation even when a phosphodiesterase inhibitor is added. Two single‐nucleotide polymorphisms (V241L and S263P) are found in 12%–20% of field samples.
Frederik Huppertz, Milagros Siebeck Caturelli, Lina S. Lehmann, Florian Kurth, Alexander G. Maier, Kai Matuschewski   +5 more
wiley   +1 more source

Nuclear level density from relativistic density functional theory and combinatorial method

Physics Letters B
Nuclear level density is calculated with the combinatorial method based on the relativistic density functional theory including pairing correlations. The Strutinsky method is adopted to smooth the total state density in order to refine the prediction at ...
X.F. Jiang, X.H. Wu, P.W. Zhao, J. Meng
doaj   +1 more source

4‐nitrobenzoate inhibits 4‐hydroxybenzoate polyprenyltransferase in malaria parasites and enhances atovaquone efficacy

FEBS Letters, EarlyView.
Atovaquone is an antimalarial requiring potentiation for sufficient efficacy. We pursued strategies to enhance its activity, showing that 4‐nitrobenzoate inhibits 4‐hydroxybenzoate polyprenyltransferase, decreasing ubiquinone biosynthesis. Since atovaquone competes with ubiquinol in mitochondria, 4‐nitrobenzoate facilitates its action, potentiating ...
Ignasi Bofill Verdaguer, Matheus Felipe Santos, Maurício Mazzine Filho, Gabriela Oliveira Castro, Agustín Hernández, Manoel Aparecido Peres, Alejandro Miguel Katzin, Marcell Crispim   +7 more
wiley   +1 more source

Dynamic density functional theory versus Kinetic theory of simple fluids

, 2010
By combining methods of kinetic and density functional theory, we present a description of molecular fluids which accounts for their microscopic structure and thermodynamic properties as well as for the hydrodynamic behavior. We focus on the evolution of
Marconi, Umberto Marini Bettolo, Melchionna, Simone   +1 more
core   +1 more source

Multidimensional OMICs reveal ARID1A orchestrated control of DNA damage, splicing, and cell cycle in normal‐like and malignant urothelial cells

Molecular Oncology, EarlyView.
Loss of the frequently mutated chromatin remodeler ARID1A, a subunit of the SWI/SNF cBAF complex, results in less open chromatin, alternative splicing, and the failure to stop cells from progressing through the cell cycle after DNA damage in bladder (cancer) cells. Created in BioRender. Epigenetic regulators, such as the SWI/SNF complex, with important
Rebecca M. Schlösser, Florian Krumbach, Eyleen Corrales, Geoffroy Andrieux, Christian Preisinger, Franziska Liss, Alexandra Golzmann, Melanie Boerries, Kerstin Becker, Ruth Knüchel, Stefan Garczyk, Bernhard Lüscher   +11 more
wiley   +1 more source