Results 21 to 30 of about 41,273 (259)

Computational steering in the CAVE [PDF]

, 1998
Scientists can gain much more insight from their simulations if they are enabled to change simulation parameters on the fly while observing the results immediately. A crucial aspect of such computational steering is an intuitive user interface.
Liere, R. (Robert) van, Wijk, van, J.J., Wijk, J.J. (Jack) van, Liere, van, R., Mulder, J.D. (Jurriaan), Mulder, J.D.   +5 more
core   +1 more source

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

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

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

Experimental Evaluation of 100Cr6 Steel Microindented Surfaces Under Lubricated Nonconformal Point Contacts

Advanced Engineering Materials, EarlyView.
The tribological behavior of 100Cr6 steel spheres textured via Vickers microindentation is evaluated under lubricated sliding by varying both dimple size and density. Fine and dense textures significantly reduce friction across all lubrication regimes, while large dimples increase it.
Farideh Davoodi, Pasquale Guglielmi, Gianfranco Palumbo, Giuseppe Carbone   +3 more
wiley   +1 more source

Architectural geometry

, 2015
Around 2005 it became apparent in the geometry processing community that freeform architecture contains many problems of a geometric nature to be solved, and many opportunities for optimization which however require geometric understanding.
Computer Graphics, Eigensatz, Michael, Sub Computer Graphics, Pottmann, Helmut, Wallner, Johannes, Vaxman, A., Vaxman, Amir   +6 more
core   +1 more source

Optimized normal and distance matching for heterogeneous object modeling [PDF]

, 2013
This paper presents a new optimization methodology of material blending for heterogeneous object modeling by matching the material governing features for designing a heterogeneous object.
Samanta, Kuntal, Koç, Bahattin, Özbolat, İbrahim T.   +2 more
core   +1 more source

Laser Powder Bed Fusion of Alumina: Effects of Scanning Strategies on External and Internal Defects

Advanced Engineering Materials, EarlyView.
This study investigates how scanning strategies affect pure alumina in laser powder bed fusion. Linear 45° scanning yields uniform surfaces but high porosity, while the island‐concentric strategy provides higher density with through‐holes favorable for infiltration. Findings highlight pathways toward optimizing defect‐free alumina parts.
Mohamed Abdelmoula, Gökhan Küçüktürk, Duran Kaya, David Grossin, Christophe Tenailleau, Benjamin Duployer, Enrique Juste, Fabrice Petit   +7 more
wiley   +1 more source

Planar Solid‐State Nanopores Toward Scalable Nanofluidic Integration Based on CMOS Technology

Advanced Engineering Materials, EarlyView.
We present a scalable silicon‐based fabrication strategy for planar solid‐state nanopores to enable their integration with complex nanofluidic systems. Prototype devices demonstrate normal voltage‐current characteristics, good noise performance, and appreciable streaming currents. Our CMOS‐compatible fabrication process offers precise geometric control
Ngan Hoang Pham, Chenyu Wen, Mohammad Hadi Khaksaran, Won‐Yong Lee, Javier Cruz, Klas Hjort, Dongping Wu, Shi‐Li Zhang   +7 more
wiley   +1 more source

A Thermodynamic 3D Model for the Simulation of Diffusion‐Controlled Alloying Processes in Heterogeneous Material Structures

Advanced Engineering Materials, EarlyView.
A numerical model resulting from irreversible thermodynamics for describing transport processes is introduced, focusing on thermodynamic activity gradients as the actual driving force for diffusion. Implemented in CUDA C++ and using CalPhaD methods for determining the necessary activity data, the model accurately simulates interdiffusion in aluminum ...
Ulrich Holländer, Leonhard Holländer, André Langohr, Hans Jürgen Maier   +3 more
wiley   +1 more source