Results 101 to 110 of about 1,164,562 (348)

Mycophenolate Mofetil Treatment Reduces the Risk of Treatment Escalation Due to Vascular Complications in Limited Cutaneous Systemic Sclerosis: Emulation of a Target Trial From the Italian Rheumatology Society SPRING Registry

open access: yesArthritis Care &Research, EarlyView.
Objective Mycophenolate mofetil (MMF) use in limited cutaneous systemic sclerosis (lcSSc) is relatively uncommon because of the lower fibrotic burden and the predominance of vascular complications. In vitro observations and clinical data from transplanted patients suggest a protective effect of MMF on endothelial function.
Enrico De Lorenzis   +77 more
wiley   +1 more source

Molecular Dynamics Simulation of High Density DNA Arrays

open access: yesComputation, 2018
Densely packed DNA arrays exhibit hexagonal and orthorhombic local packings, as well as a weakly first order transition between them. While we have some understanding of the interactions between DNA molecules in aqueous ionic solutions, the structural ...
Rudolf Podgornik   +2 more
doaj   +1 more source

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

open access: yesAdvanced 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   +7 more
wiley   +1 more source

Molecular Components and Molecular Modelling for Asphalt: A Review

open access: yesAdvanced Physics Research
Asphalt is a complex, heterogeneous organic mixture increasingly used in modern pavement. With the rising traffic load and sustainable strategies, developing high‐performance asphalt materials becomes crucial, which relies on the understanding of the ...
Zhijin Wang   +4 more
doaj   +1 more source

What Do Large Language Models Know About Materials?

open access: yesAdvanced Engineering Materials, EarlyView.
If large language models (LLMs) are to be used inside the material discovery and engineering process, they must be benchmarked for the accurateness of intrinsic material knowledge. The current work introduces 1) a reasoning process through the processing–structure–property–performance chain and 2) a tool for benchmarking knowledge of LLMs concerning ...
Adrian Ehrenhofer   +2 more
wiley   +1 more source

The Effect of Depth of Cut on the Molecular Dynamics (MD) Simulation of Multi-Pass Nanometric Machining

open access: yes, 2011
The effect of depth of cut on multi-pass nanometric machining of copper workpiece with diamond tool was studied using the Molecular Dynamics (MD) simulation.
Oluwajobi, Akinjide O., Chen, Xun
core  

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

open access: yesAdvanced 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   +3 more
wiley   +1 more source

MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations

open access: yesJournal of Computational Chemistry, 2011
MDAnalysis is an object‐oriented library for structural and temporal analysis of molecular dynamics (MD) simulation trajectories and individual protein structures. It is written in the Python language with some performance‐critical code in C. It uses the
Naveen Michaud-Agrawal   +3 more
semanticscholar   +1 more source

Investigation of Oxygen‐Free Wetting Behavior of Aluminum on Copper via Molecular Dynamics Simulations and Experiments

open access: yesAdvanced Engineering Materials, EarlyView.
The wettability of aluminum droplets (Al) on different copper substrates (Cu), where liquid Al spreads on solid Cu surfaces to form a liquid–solid interface, is studied numerically and experimentally. The experimental and numerical results show good agreement in the fast‐spreading regime.
Shan Lyu   +8 more
wiley   +1 more source

Network Pharmacology, Molecular Docking and Dynamics Simulation Reveal the Anti-Colitis Mechanism of Smilax glabra Roxb.

open access: yesClinical and Experimental Gastroenterology
Yuan Cui,1,2 Jingyi Hu,1 Yanan Li,1 Yiheng Tong,1 Hong Shen1 1Department of Gastroenterology, Jiangsu Province Hospital of Chinese Medicine, Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing, 210001, People’s Republic of China ...
Cui Y, Hu J, Li Y, Tong Y, Shen H
doaj  

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