Results 51 to 60 of about 17,648 (273)

Interpreting the effects of DNA polymerase variants at the structural level

Molecular Oncology, EarlyView.
Using MAVISp and molecular dynamics simulations, we analyzed over 60 000 missense variants in POLE and POLD1 from ClinVar, COSMIC, cBioPortal, and saturation mutagenesis. Identified mechanistic indicators, including stability, binding, and long‐range, enable structural interpretation, providing ACMG‐like evidence for possible reclassification of VUS ...
Matteo Arnaudi, Karolina Krzesińska, Ludovica Beltrame, Pablo Sánchez‐Izquierdo Besora, Matteo Tiberti, Mef Nilbert, Anna Rohlin, Elena Papaleo   +7 more
wiley   +1 more source

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

FEBS 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, Fredrik Orädd, Konstantinos Magkakis, Magnus Andersson   +3 more
wiley   +1 more source

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

Decentralized Stability Enhancement of DFIG-Based Wind Farms in Large Power Systems: Koopman Theoretic Approach

IEEE Access, 2022
This paper proposes a data-centric model predictive control (MPC) for supplemental control of a DFIG-based wind farm (WF) to improve power system stability.
Ahmed Husham, Innocent Kamwa, M. A. Abido, Hussein Supreme   +3 more
doaj   +1 more source

Evaluation of the Region of Attractions of Higher Dimensional Hyperbolic Systems using the Extended Dynamic Mode Decomposition

CoRR, 2022
This paper proposes an original methodology to compute the regions of attraction in hyperbolic and polynomial nonlinear dynamical systems using the eigenfunctions of the discrete-time approximation of the Koopman operator given by the extended dynamic mode decomposition algorithm.
Camilo Garcia-Tenorio, Duvan Tellez-Castro, Eduardo Mojica-Nava, Alain Vande Wouwer   +3 more
openaire   +2 more sources

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

FEBS 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, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Identification of Dielectric Response Parameters of Pumped Storage Generator-Motor Stator Winding Insulation Based on Sparsity-Enhanced Dynamic Decomposition of Depolarization Current

Energies
Accurate diagnosis of the insulation condition of stator windings in pumped storage generator-motor units is crucial for ensuring the safe and stable operation of power systems.
Guangya Zhu, Shiyu Ma, Shuai Yang, Yue Zhang, Bingyan Wang, Kai Zhou   +5 more
doaj   +1 more source

Additive Gaussian Process Regression for Predictive Design of High‐Performance, Printable Silicones

Advanced Engineering Materials, EarlyView.
A chemistry‐aware design framework for tuning printable polydimethylsiloxane (PDMS) for vat photopolymerization (VPP) is developed using additive Gaussian process (GP) modeling. Polymer network mechanics informs variable groupings, feasible formulation constraints, and interaction variables.
Roxana Carbonell, Martha Leach, Hongtao Song, Carolyn Seepersad   +3 more
wiley   +1 more source

EEG-Based Detection of Induced Relaxation

IEEE Access
Relaxation, which refers to the absence of tension and stress, is important for health because extended periods of tension may lead to illness. This study detected induced relaxation through electroencephalography (EEG) for the real-time monitoring of ...
Bunyarat Umsura, Wanus Srimaharaj, Phakkharawat Sittiprapaporn, Nina Bencheva, Ratchuporn Suksathan, Roungsan Chaisricharoen   +5 more
doaj   +1 more source

Tailored Hierarchical Porous Copper Architectures via Three Dimensional Printing and Pressure‐less Sintering for Next‐Generation Lithium‐Metal Batteries

Advanced Engineering Materials, EarlyView.
A hierarchical porous copper current collector is fabricated via three‐dimensional printing combined with pressureless sintering to stabilize lithium metal anodes. The interconnected architecture lowers local current density, guides uniform Li deposition within pores, and suppresses dendrite growth.
Alok Kumar Mishra, Mukul Shukla
wiley   +1 more source