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HomeKeywordsMD

Keywords: MD

AFM-Based Fabrication of a Nanofluidic Device for Medical Applications

Promyoo R., El-Mounayri H., Karingula V.K., Varahramyan K., Indiana University Purdue University Indianapolis, US
Recent developments in science and engineering have advanced the atomic manufacturing of nanoscale structures, allowing for improved high-performance technologies. Among them, AFM-based nanomachining is considered a potential manufacturing tool for operations including machining, patterning, and [...]

MD Simulations on the Momentum Transfer to Nano Contaminant Particle on Wafer Surface in Collisions with Cleaning Bullets

Choi M.S, Lee J.W., POSTECH, KR
This study aims to clarify the basic mechanism through MD simulations on momentum transfer during collisions between target contaminant and cleaning bullet particles both in the nanometer size range. Even in conditions where the contaminant [...]

Effect of functionalization on the self-assembling propensity of beta sheet forming peptides

Taraballi F., Campione M., Vescovi A.L., Sassella A., Hwang W., Paleari A., Gelain F., University of Milan-Bicocca, IT
Synthetic polymers and bioinspired fibrous materials have a significant impact in medicine in the recent years. The design and fabrication of new bio-materials has a great influence in several scientific and medical communities. The potential [...]

Replica Exchange Molecular Dynamics Toolkit for Drug-receptor Docking

Ito M., Nishikawa T., Nagashima U., National Institute of Advanced Industrial Science and Technology, JP
In this post-genomic era, much attention is focused on the 3D structure and flexibility of protein molecules for the rational drug design. Although the structure information provides a good starting point for estimating the ligand-protein [...]

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