Results 71 to 80 of about 8,193,792 (388)

In situ and real-time ultrafast spectroscopy of photoinduced reactions in perovskite nanomaterials

open access: yesNature Communications
By employing two synchronized mode-locked femtosecond lasers and interferometric detection of the pump-probe spectra—referred to as asynchronous and interferometric transient absorption—we have developed a method for broad dynamic range and rapid data ...
Gi Rim Han   +7 more
doaj   +1 more source

Non-Reversibility of Molecular Dynamics Trajectories [PDF]

open access: yes, 1996
We study the non-reversibility of molecular dynamics trajectories arising from the amplification of rounding errors. We analyse the causes of such behaviour and give arguments, indicating that this does not pose a significant problem for Hybrid Monte ...
A.D. Kennedy   +4 more
core   +3 more sources

Autophagy in cancer and protein conformational disorders

open access: yesFEBS Letters, EarlyView.
Autophagy plays a crucial role in numerous biological processes, including protein and organelle quality control, development, immunity, and metabolism. Hence, dysregulation or mutations in autophagy‐related genes have been implicated in a wide range of human diseases.
Sergio Attanasio
wiley   +1 more source

Label-free neuroimaging in vivo using synchronous angular scanning microscopy with single-scattering accumulation algorithm

open access: yesNature Communications, 2019
A major challenge of in vivo imaging is imaging deeper, including in turbid tissue. The authors report an adaptive optics based microscope that uses coherent single scattering signal to reduce sample-induced aberrations and enable fast deep-tissue ...
Moonseok Kim   +10 more
doaj   +1 more source

Towards exact molecular dynamics simulations with machine-learned force fields [PDF]

open access: yesNature 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

Brownian motion from molecular dynamics

open access: yes, 2010
Brownian motion of single particles with various masses M and diameters D is studied by molecular dynamics simulations. Besides the momentum auto-correlation function of the Brownian particle the memory function and the fluctuating force which enter the ...
Alder   +38 more
core   +1 more source

Investigation of Structural Dynamics of Enzymes and Protonation States of Substrates Using Computational Tools. [PDF]

open access: yes, 2016
This review discusses the use of molecular modeling tools, together with existing experimental findings, to provide a complete atomic-level description of enzyme dynamics and function.
Chang, Chia-En A   +3 more
core   +2 more sources

Protonophore activity of short‐chain fatty acids induces their intracellular accumulation and acidification

open access: yesFEBS Letters, EarlyView.
The protonated form of butyrate, as well as other short‐chain fatty acids (SCFAs), is membrane permeable. In acidic extracellular environments, this can lead to intracellular accumulation of SCFAs and cytosolic acidification. This phenomenon will be particularly relevant in acidic environments such as the large intestine or tumor microenvironments ...
Muwei Jiang   +2 more
wiley   +1 more source

Increased intracellular crowding during hyperosmotic stress

open access: yesScientific Reports, 2023
Hyperosmotic stress activates in live cells numerous processes and also promotes intracellular protein/RNA aggregation and phase separation. However, the time course and the extent of these changes remain largely uncharacterized.
Akira Kitamura   +5 more
doaj   +1 more source

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