Results 91 to 100 of about 8,584,903 (389)

Substrate specificity of Burkholderia pseudomallei multidrug transporters is influenced by the hydrophilic patch in the substrate‐binding pocket

FEBS Letters, EarlyView.
Multidrug transporters BpeB and BpeF from the Gram‐negative pathogen Burkholderia pseudomallei have a hydrophilic patch in their substrate‐binding pocket. Drug susceptibility tests and growth curve analyses using an Escherichia coli recombinant expression system revealed that the hydrophilic patches of BpeB and BpeF are involved in the substrate ...
Ui Okada, Satoshi Murakami
wiley   +1 more source

Two-dimensional infrared spectroscopic study of cytochrome c peroxidase activity in deep eutectic solvent

Structural Dynamics, 2019
Deep eutectic solvents (DESs) prepared by mixing hydrogen-bond donor and acceptor molecules have been found to be of use in several applications. Recently, it was shown that DESs can enhance the peroxidation activity of cytochrome c.
Koji Osawa, Dorota Kossowska, Kwanghee Park, Kyungwon Kwak, Minhaeng Cho   +4 more
doaj   +1 more source

Infrared spectroscopic study of hydrogen bonding topologies in the smallest ice cube

Nature Communications, 2020
Spectroscopic studies of water clusters provide insight into the hydrogen bond structure of water and ice. The authors measure infrared spectra of neutral water octamers using a threshold photoionization technique based on a tunable vacuum-UV free ...
Gang Li, Yang-Yang Zhang, Qinming Li, Chong Wang, Yong Yu, Bingbing Zhang, Han-Shi Hu, Weiqing Zhang, Dongxu Dai, Guorong Wu, Dong H. Zhang, Jun Li, Xueming Yang, Ling Jiang   +13 more
doaj   +1 more source

Molecular mode-coupling theory for supercooled liquids: Application to water

, 1999
We present mode-coupling equations for the description of the slow dynamics observed in supercooled molecular liquids close to the glass transition.
A. Latz, C. Theis, C. Theis, C. Theis, D. Forster, F. Sciortino, F. Sciortino, F. Sciortino, H. J. C. Berendsen, H. Z. Cummins, J. P. Hansen, K. Kawasaki, L. Fabbian, L. Fabbian, L. Fabbian, M. Nauroth, P. Gallo, P. Tartaglia, R. Schilling, R. Schilling, R. Schilling, S.-H. Chong, T. Franosch, T. Scheidsteger, W. Götze, W. Götze, W. van Megen   +26 more
core   +1 more source

Mechanisms of parasite‐mediated disruption of brain vessels

FEBS Letters, EarlyView.
Parasites can affect the blood vessels of the brain, often causing serious neurological problems. This review explains how different parasites interact with and disrupt these vessels, what this means for brain health, and why these processes matter. Understanding these mechanisms may help us develop better ways to prevent or treat brain infections in ...
Leonor Loira, Sílvia Arroz‐Madeira, Cláudio A. Franco, Sara Silva Pereira   +3 more
wiley   +1 more source

Color Molecular-Dynamics for High Density Matter

, 1999
We propose a microscopic simulation for quark many-body system based on molecular dynamics. Using color confinement and one-gluon exchange potentials together with the meson exchange potentials between quarks, we construct nucleons and nuclear/quark ...
A. Bonasera, A. Ono, A. Ono, A. Ono, C. J. Horowitz, C. T. Traxler, D. H. Boal, G. Baym, H. Feldmeier, H. Satz, I. M. Barbour, J. Aichelin, J. Aichelin, J. C. Collins, K. Saito, M. M. Boyce, M. Oka, P. A. M. Guichon, P. H. Damgaad, S. G. Matinyan, T. Maruyama, T. Maruyama, Tetsuo Hatsuda, Toshiki Maruyama, U. Vogl, W. Pöschl, Y. Koike, Y. Koike, Y. Koike   +28 more
core   +1 more source

Time after time – circadian clocks through the lens of oscillator theory

FEBS Letters, EarlyView.
Oscillator theory bridges physics and circadian biology. Damped oscillators require external drivers, while limit cycles emerge from delayed feedback and nonlinearities. Coupling enables tissue‐level coherence, and entrainment aligns internal clocks with environmental cues.
Marta del Olmo, Carolin Ector, Hanspeter Herzel   +2 more
wiley   +1 more source

Deep tissue space-gated microscopy via acousto-optic interaction

Nature Communications, 2020
In ideal diffraction-limited optical microscopy imaging depth is limited by the multiply scattered wave. Here, the authors present a space gating method, based on an acoustic focus in the object plane and reconstruction using only the acousto-optically ...
Mooseok Jang, Hakseok Ko, Jin Hee Hong, Won Kyu Lee, Jae-Seung Lee, Wonshik Choi   +5 more
doaj   +1 more source

Classical molecular dynamics [PDF]

The Journal of Chemical Physics, 2021
Charles L. Brooks, David A. Case, Steve Plimpton, Benoît Roux, David van der Spoel, Emad Tajkhorshid   +5 more
openaire   +2 more sources

TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics

WIREs Computational Molecular Science, 2020
TeraChem was born in 2008 with the goal of providing fast on‐the‐fly electronic structure calculations to facilitate ab initio molecular dynamics studies of large biochemical systems such as photoswitchable proteins and multichromophoric antenna ...
Stefan Seritan, Stefan Seritan, Christoph Bannwarth, Christoph Bannwarth, B. S. Fales, B. S. Fales, E. Hohenstein, E. Hohenstein, C. Isborn, Sara Kokkila-Schumacher, Xin Li, F. Liu, Nathan Luehr, James W. Snyder, Chenchen Song, Chenchen Song, A. Titov, Ivan S. Ufimtsev, Lee‐Ping Wang, T. Martínez, T. Martínez   +20 more
semanticscholar   +1 more source