Results 51 to 60 of about 8,231,754 (397)

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

REGULARIZATION OF COULOMB POTENTIAL FOR CALCULATING ELECTRON DENSITY IN QUANTUM MECHANICAL SYSTEMS

TASK Quarterly, 2017
In this paper we show a simple and effective method for regularizing the Coulomb potential for numerical calculations of quantum mechanical problems, such as, for example, the solution of the Schrödinger equation, the expansion of charge density and ...
SERGEY KSHEVETSKY , ALEKSANDR SHAPILOV
doaj   +1 more source

Refinement for single-nanoparticle structure determination from low-quality single-shot coherent diffraction data

IUCrJ, 2020
With the emergence of X-ray free-electron lasers, it is possible to investigate the structure of nanoscale samples by employing coherent diffractive imaging in the X-ray spectral regime.
Toshiyuki Nishiyama, Akinobu Niozu, Christoph Bostedt, Ken R. Ferguson, Yuhiro Sato, Christopher Hutchison, Kiyonobu Nagaya, Hironobu Fukuzawa, Koji Motomura, Shin-ichi Wada, Tsukasa Sakai, Kenji Matsunami, Kazuhiro Matsuda, Tetsuya Tachibana, Yuta Ito, Weiqing Xu, Subhendu Mondal, Takayuki Umemoto, Christophe Nicolas, Catalin Miron, Takashi Kameshima, Yasumasa Joti, Kensuke Tono, Takaki Hatsui, Makina Yabashi, Kiyoshi Ueda   +25 more
doaj   +1 more source

Universal lower bounds on the kinetic energy of electronic systems with noncollinear magnetism

, 2018
The distribution of noncollinear magnetism in an electronic system provides information about the kinetic energy as well as some kinetic energy densities. Two different everywhere-positive kinetic densities related to the Schr\"odinger--Pauli Hamiltonian
Tellgren, Erik I.
core   +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

Voyager VLISM Electron Density Dataset

The Astrophysical Journal Supplement Series
This paper is a companion to an electron density dataset submitted to both the Planetary Data System and the Space Physics Data Facility for measurements by the Voyager Plasma Wave Science (PWS) instrument in the very local interstellar medium.
W. S. Kurth, L. J. Granroth, J. B. Faden
doaj   +1 more source

Observations of equatorial plasma bubbles during the geomagnetic storm of October 2016

Earth and Planetary Physics, 2021
We investigated the variations of equatorial plasma bubbles (EPBs) in the East-Asian sector during a strong geomagnetic storm in October 2016, based on observations from the Beidou geostationary (GEO) satellites, Swarm satellite and ground-based ...
FuQing Huang, JiuHou Lei, Chao Xiong, JiaHao Zhong, GuoZhu Li   +4 more
doaj   +1 more source

A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density

Nature Communications, 2017
In macromolecular crystallography, the rigorous detection of changed states (for example, ligand binding) is difficult unless signal is strong. Ambiguous (‘weak’ or ‘noisy’) density is experimentally common, since molecular states are generally only ...
N. Pearce, T. Krojer, A. Bradley, P. Collins, R. Nowak, R. Talon, B. Marsden, S. Kelm, Jiye Shi, C. Deane, F. von Delft   +10 more
semanticscholar   +1 more source

Reciprocal control of viral infection and phosphoinositide dynamics

FEBS Letters, EarlyView.
Phosphoinositides, although scarce, regulate key cellular processes, including membrane dynamics and signaling. Viruses exploit these lipids to support their entry, replication, assembly, and egress. The central role of phosphoinositides in infection highlights phosphoinositide metabolism as a promising antiviral target.
Marie Déborah Bancilhon, Bruno Mesmin
wiley   +1 more source

Economical Models for Electron Densities

The Journal of Physical Chemistry A, 2023
We discuss a new theoretical framework for modeling molecular electron densities. Our approach decomposes the total density into contributions from basis function products and then approximates each product using constrained least-squares approximation in a tailored local basis of functions with adjustable non-linear parameters.
Ellena K. G. Black, Peter M. W. Gill
openaire   +2 more sources