Results 81 to 90 of about 11,200,517 (250)

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

FEBS 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, Yelyzaveta Pulnova, Elke De Zitter, Helen M. Ginn, Briony A. Yorke   +4 more
wiley   +1 more source

Multidisciplinary design optimization framework for the pre design stage [PDF]

, 2010
Presented is a novel framework for performing flexible computational design studies at preliminary design stage. It incorporates a workflow management device (WMD) and a number of advanced numerical treatments, including multi-objective optimization ...
Balachandran, Libish Kalathil, Padulo, Mattia, Paolo Fantini, Nunez, Marco, Marin Guenov, Libish Balachandran, Guenov, Marin D., Maginot, Jeremy, Marco Nunez, Mattia Padulo, Jeremy Maginot, Fantini, Paolo   +11 more
core   +1 more source

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

FEBS 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, Yuhei Hosokawa, Lars Oliver Essen, Manuel Maestre‐Reyna   +3 more
wiley   +1 more source

Calibration of a Low-Cost Methane Sensor Using Machine Learning

Sensors
In order to combat greenhouse gas emissions, the sources of these emissions must be understood. Environmental monitoring using low-cost wireless devices is one method of measuring emissions in crucial but remote settings, such as peatlands.
Hazel Louise Mitchell, Simon J. Cox, Hugh G. Lewis   +2 more
doaj   +1 more source

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

FEBS 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, Christine Volmert, Valentina Piano   +2 more
wiley   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

FEBS 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, Andrej Mirossay, Erik Sedlak   +2 more
wiley   +1 more source

Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand Binding

ACS Omega, 2021
Yoshinori Hirano, Noriaki Okimoto, Shigeo Fujita, Makoto Taiji   +3 more
doaj   +1 more source

A Low-Cost Sensor Network for Monitoring Peatland

Sensors
Peatlands across the world are vital carbon stores. However, human activities have caused the degradation of many sites, increasing their greenhouse gas emissions and vulnerability to wildfires.
Hazel Louise Mitchell, Simon J. Cox, Hugh G. Lewis   +2 more
doaj   +1 more source

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

FEBS 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, Junjie Xu, Josep Rizo   +2 more
wiley   +1 more source

Review structure- and dynamics-based computational design of anticancer drugs

, 2017
Cancer is a class of highly complex diseases involving multiple genes and multiple cross-talks between signaling networks. Cancer cells may be developed from inherited defects or acquired damages of DNA.
Lin, Jung Hsin, 林榮信
core   +1 more source