Results 51 to 60 of about 371,316 (301)

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

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

open access: yesFEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young   +7 more
wiley   +1 more source

A Continuation Method in Bayesian Inference

open access: yesSIAM/ASA Journal on Uncertainty Quantification, 2023
We present a continuation method that entails generating a sequence of transition probability density functions from the prior to the posterior in the context of Bayesian inference for parameter estimation problems. The characterization of transition distributions, by tempering the likelihood function, results in a homogeneous nonlinear partial integro-
openaire   +2 more sources

Interregional Effects of Innovations in Russia: Analysis from the Bayesian Perspective [PDF]

open access: yesПространственная экономика
This study analyzes the interregional effects of innovation in Russia. The hypothesis of the presence of interregional effects is tested by combining the methods of spatial econometrics and Bayesian approach.
Dmitrii Sergeevich Tereshchenko
doaj   +1 more source

Bayesian methods for hierarchical distance sampling models

open access: yes, 2014
Cornelia S. Oedekoven was supported by a studentship jointly funded by the University of St Andrews and EPSRC (EPSRC grant EP/C522702/1), through the National Centre for Statistical Ecology.The few distance sampling studies that use Bayesian methods ...
Oedekoven, Cornelia Sabrina   +11 more
core   +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

Bayesian Proxy Modelling for Estimating Black Carbon Concentrations using White-Box and Black-Box Models

open access: yesApplied Sciences, 2019
Black carbon (BC) is an important component of particulate matter (PM) in urban environments. BC is typically emitted from gas and diesel engines, coal-fired power plants, and other sources that burn fossil fuel.
Martha A. Zaidan   +3 more
doaj   +1 more source

Searching multiregression dynamic models of resting-state fMRI networks using integer programming [PDF]

open access: yes, 2015
A Multiregression Dynamic Model (MDM) is a class of multivariate time series that represents various dynamic causal processes in a graphical way. One of the advantages of this class is that, in contrast to many other Dynamic Bayesian Networks, the ...
Smith, Jim   +9 more
core   +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

Evaluation of genome-enabled selection for bacterial cold water disease resistance using progeny performance data in rainbow trout: Insights on genotyping methods and genomic prediction models

open access: yesFrontiers in Genetics, 2016
Bacterial cold water disease (BCWD) causes significant economic losses in salmonid aquaculture, and traditional family-based breeding programs aimed at improving BCWD resistance have been limited to exploiting only between-family variation.
Roger L. Vallejo   +8 more
doaj   +1 more source

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