Results 81 to 90 of about 1,077,577 (311)

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

MLS-based variable-node elements compatible with quadratic interpolation. Part II: Application for finite crack element [PDF]

, 2006
Two-dimensional finite 'crack' elements for Simulation of propagating cracks are developed using the moving least-square (MLS) approximation.
Cho, YS, Im, Seyoung
core   +1 more source

Preference-Based Gradient Estimation for ML-Guided Approximate Combinatorial Optimization

Trans. Mach. Learn. Res.
Preliminary work, under ...
Arman Mielke, Uwe Bauknecht, Thilo Strauss, Mathias Niepert   +3 more
openaire   +3 more sources

Large‐scale bidirectional arrayed genetic screens identify OXR1 and EMC4 as modifiers of αSynuclein aggregation

FEBS Open Bio, EarlyView.
Activation of the mitochondrial protein OXR1 increases pSyn129 αSynuclein aggregation by lowering ATP levels and altering mitochondrial membrane potential, particularly in response to MSA‐derived fibrils. In contrast, ablation of the ER protein EMC4 enhances autophagic flux and lysosomal clearance, broadly reducing α‐synuclein aggregates.
Sandesh Neupane, Lea Nikolić, Lorenzo Maraio, Thomas Goiran, Nathan Karpilovsky, Stefano Sellitto, Vangelis Bouris, Jiang‐An Yin, Ronald Melki, Edward A Fon, Adriano Aguzzi, Elena De Cecco   +11 more
wiley   +1 more source

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

The improved element-free Galerkin method for three-dimensional wave equation [PDF]

, 2012
The paper presents the improved element-free Galerkin (IEFG) method for three-dimensional wave propagation. The improved moving least-squares (IMLS) approximation is employed to construct the shape function, which uses an orthogonal function system with ...
Li, Dong-Ming, Cheng, Yu-Min, Liew, Kim Moew Liew, Zhang, Zan   +3 more
core   +1 more source

The improved interpolating element-free Galerkin method with nonsingular weight functions for 3D Schrödinger equations

Alexandria Engineering Journal
In this study, the improved interpolating element-free Galerkin (IIEFG) method with a nonsingular weight function for solving the 3D Schrödinger equations is presented.
Haili Cui, Zhijuan Meng, Heng Cheng, Lidong Ma   +3 more
doaj   +1 more source

A sharp MLS penalty immersed finite element method for fluid-structure interaction of highly deformable slender body in turbulent flow

Engineering Applications of Computational Fluid Mechanics
This paper presents a new computational approach to simulate challenging fluid-structure interactions (FSI) between fluids and slender deformable structures.
Ehsan Akrami, Mathieu Specklin, Rafael Torrecilla Rubio, Robert Connolly, Ben Breen, Stefan Berten, Mark Kehoe, A. Albadawi, Y. Delaure   +8 more
semanticscholar   +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

Application of patch test in meshless analysis of continuously non-homogeneous piezoelectric circular plate

Applied and Computational Mechanics, 2013
Proposed paper presents application of the patch test for meshless analysis of piezoelectric circular plate with functionally graded material properties.
Staňák P., Sládek V., Sládek J., Krahulec S., Sátor L.   +4 more
doaj