Results 91 to 100 of about 8,517,557 (393)
By dawn or dusk—how circadian timing rewrites bacterial infection outcomes
FEBS Letters, EarlyView.The circadian clock shapes immune function, yet its influence on infection outcomes is only beginning to be understood. This review highlights how circadian timing alters host responses to the bacterial pathogens Salmonella enterica, Listeria monocytogenes, and Streptococcus pneumoniae revealing that the effectiveness of immune defense depends not only
Devons Mo +2 more
wiley +1 more source
Onset of slow dynamics in difluorotetrachloroethane glassy crystal
, 2005 Complementary Neutron Spin Echo and X-ray experiments and Molecular Dynamics simulations have been performed on difluorotetrachloroethane (CFCl2-CFCl2) glassy crystal.
E. Cochin +9 more
core +1 more source
Superadiabatic transitions in quantum molecular dynamics [PDF]
, 2009 We study the dynamics of a molecule’s nuclear wave function near an avoided crossing of two electronic energy levels for one nuclear degree of freedom.
Betz V. +9 more
core +3 more sources
A review of advancements in coarse-grained molecular dynamics simulations
Molecular Simulation, 2020 Over the last few years, coarse-grained molecular dynamics has emerged as a way to model large and complex systems in an efficient and inexpensive manner due to its lowered resolution, faster dynamics, and larger time steps.
Soumil Y. Joshi, Sanket A. Deshmukh
semanticscholar +1 more source
Towards exact molecular dynamics simulations with machine-learned force fields [PDF]
Nature Communications, 2018 Molecular dynamics (MD) simulations employing classical force fields constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science.
Stefan Chmiela +3 more
semanticscholar +1 more source
Phosphatidylinositol 4‐kinase as a target of pathogens—friend or foe?
FEBS Letters, EarlyView.This graphical summary illustrates the roles of phosphatidylinositol 4‐kinases (PI4Ks). PI4Ks regulate key cellular processes and can be hijacked by pathogens, such as viruses, bacteria and parasites, to support their intracellular replication. Their dual role as essential host enzymes and pathogen cofactors makes them promising drug targets.
Ana C. Mendes +3 more
wiley +1 more source
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 +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 +13 more
doaj +1 more source
Molecular Dynamics at Low Time Resolution
, 2010 The internal dynamics of macro-molecular systems is characterized by widely separated time scales, ranging from fraction of ps to ns. In ordinary molecular dynamics simulations, the elementary time step dt used to integrate the equation of motion needs ...
Faccioli, Pietro
core +1 more source
Molecular bases of circadian magnesium rhythms across eukaryotes
FEBS Letters, EarlyView.Circadian rhythms in intracellular [Mg2+] exist across eukaryotic kingdoms. Central roles for Mg2+ in metabolism suggest that Mg2+ rhythms could regulate daily cellular energy and metabolism. In this Perspective paper, we propose that ancestral prokaryotic transport proteins could be responsible for mediating Mg2+ rhythms and posit a feedback model ...
Helen K. Feord, Gerben van Ooijen
wiley +1 more source