Results 41 to 50 of about 2,213,611 (143)

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

open access: yesFEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei   +3 more
wiley   +1 more source

Analysing the significance of small conformational changes and low occupancy states in serial crystallographic data

open access: yesFEBS Open Bio, EarlyView.
This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill   +4 more
wiley   +1 more source

Refinement of amino‐acid conformation vs. difference density maps in time‐resolved serial femtosecond crystallography data analysis

open access: yesFEBS Open Bio, EarlyView.
The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong   +3 more
wiley   +1 more source

Computability limits within the scope of computational mechanics [PDF]

open access: yes, 2008
The contribution deals with limits of computational mechanics as they unreel from those of physics, instrumental limits of computers and experimental instruments.
Okrouhlík M., Okrouhlík, Miloslav
core   +1 more source

Atomistic Simulation of Nanoindentation

open access: yes, 2015
U.S.
Chen, C.-S., Chang, S.-W., Wang, C.-K., Lai, J.-W., Liao, Y.-P. & Huang, C.-W.   +1 more
core   +1 more source

RoundMi: A quantitative method to analyze mitochondrial morphology in mitotic cells

open access: yesFEBS Open Bio, EarlyView.
RoundMi is a workflow for rapid analysis of mitochondrial morphology in mitotic cells. By combining adaptive preprocessing with automated segmentation and quantification, it enables accurate measurements from single focal plane images, reducing acquisition time and computational demands while remaining compatible with high‐throughput fixed and live ...
Elmira Parvindokht Bararpour   +2 more
wiley   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

open access: yesFEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova   +2 more
wiley   +1 more source

Isogeometric dual mortar methods for computational contact mechanics [PDF]

open access: yes, 2016
International audienceIn recent years, isogeometric analysis (IGA) has received great attention in many fields of computational mechanics research. Especially for computational contact mechanics, an exact and smooth surface representation is highly ...
Wall, Wolfgang A.   +5 more
core   +1 more source

Guiding AlphaFold to predict how Munc13‐1 opens Syntaxin‐1

open access: yesFEBS Open Bio, EarlyView.
The syntaxin‐1 Habc‐domain (orange), linker (pink) and SNARE motif (yellow) form a closed conformation that binds to Munc18‐1 (violet) and is opened by the Munc13‐1 MUN domain (cyan) to form the SNARE complex that triggers neurotransmitter release.
Madhurima Chattopadhyay   +2 more
wiley   +1 more source

A new flow chip in combination with multiphoton microscopy as a protocol for longitudinal 3D imaging of tissue calcification under shear stress

open access: yesFEBS Open Bio, EarlyView.
Miniaturized flow chip platform enabling continuous perfusion and longitudinal multiphoton 3D imaging of vascular smooth muscle cell constructs under physiological flow. Brightfield imaging guides region selection, while CellTracker Green and mRuby‐labeled fetuin‐A visualize cells and mineral deposition, respectively. Magnesium supplementation markedly
Vytautas Kučikas   +6 more
wiley   +1 more source

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