Results 111 to 120 of about 4,399,350 (329)

Polyacrylamide in glycerol solutions from an atomistic perspective of the energetics, structure, and dynamics

open access: yesAIP Advances, 2020
All-atom molecular dynamics is used to investigate the structural, energetic, and dynamical properties of polyacrylamide (PAM) oligomers of different lengths solvated in pure glycerol, a 90:10 glycerol–water mixture, and pure water.
Scott D. Hopkins   +4 more
doaj   +1 more source

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

Deep‐NCA: A deep learning methodology for performing noncompartmental analysis of pharmacokinetic data

open access: yesCPT: Pharmacometrics & Systems Pharmacology
Noncompartmental analysis (NCA) is a model‐independent approach for assessing pharmacokinetics (PKs). Although the existing NCA algorithms are very well‐established and widely utilized, they suffer from low accuracies in the setting of sparse PK samples.
Gengbo Liu   +5 more
doaj   +1 more source

Estimating the seasonal performance and electricity consumption of retrofitted heat pumps

open access: yesData-Centric Engineering
Gas furnaces are the prevalent heating systems in Europe, but efforts to decarbonize the energy sector advocate for their replacement with heat pumps.
Daniel René Bayer, Marco Pruckner
doaj   +1 more source

PBPK modeling and simulation in drug research and development

open access: yesActa Pharmaceutica Sinica B, 2016
Physiologically based pharmacokinetic (PBPK) modeling and simulation can be used to predict the pharmacokinetic behavior of drugs in humans using preclinical data.
Xiaomei Zhuang, Chuang Lu
semanticscholar   +1 more source

Promiscuous stimulation of HSP70 ATPase activity by parasite‐derived J‐domains

open access: yesFEBS Open Bio, EarlyView.
The malaria parasite Plasmodium falciparum exports three highly homologous yet functionally divergent J‐domain proteins into human erythrocytes. Here, we show that J‐domains isolated from all three proteins effectively stimulate the ATPase activity of both endogenous host and exported parasite HSP70 chaperones.
Julian Barth   +6 more
wiley   +1 more source

A fractional order SIR epidemic model with nonlinear incidence rate

open access: yesAdvances in Difference Equations, 2018
In this paper, a fractional order SIR epidemic model with nonlinear incidence rate is presented and analyzed. First, we prove the global existence, positivity, and boundedness of solutions.
Abderrahim Mouaouine   +3 more
doaj   +1 more source

Predicting Epileptogenic Tubers in Patients With Tuberous Sclerosis Complex Using a Fusion Model Integrating Lesion Network Mapping and Machine Learning

open access: yesAnnals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Accurate localization of epileptogenic tubers (ETs) in patients with tuberous sclerosis complex (TSC) is essential but challenging, as these tubers lack distinct pathological or genetic markers to differentiate them from other cortical tubers.
Tinghong Liu   +11 more
wiley   +1 more source

Real‐World Performance of CSF Kappa Free Light Chains in the 2024 McDonald Criteria

open access: yesAnnals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Kappa free light chains (KFLCs) in the cerebrospinal fluid (CSF) have a similar performance to CSF‐restricted oligoclonal bands (OCB) for multiple sclerosis (MS) diagnosis. To help with implementation, we set out to resolve several remaining uncertainties: (1) performance in a real‐world cohort and the 2024 McDonald criteria; (2 ...
Maya M. Leibowitz   +11 more
wiley   +1 more source

The Effect of Integrating Travel Time

open access: yes, 2012
This contribution demonstrates the potential gain for the quality of results in a simulation of pedestrians when estimated remaining travel time is considered as a determining factor for the movement of simulated pedestrians. This is done twice: once for
A. Johansson   +16 more
core   +1 more source

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