预测壳聚糖-银纳米粒子相互作用的分子动力学量子场模型

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-08-26 DOI:10.1080/08927022.2024.2391940

Mario Pérez-Álvarez, Francisco Javier Sánchez-Ruíz, Héctor Domínguez, Luis Vicente-Hinestroza, Javier Illescas, Sonia Martínez-Gallegos

引用次数: 0

摘要

本研究开发了一种壳聚糖与氧化银纳米颗粒（Ag2NPs）的复合材料。将 Materials Studio® 软件中的通用力场选项应用于模式...

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Molecular dynamics model quantum field for prediction of the interaction between chitosan–silver nanoparticles

In this work, a composite material between chitosan and silver oxide nanoparticles (Ag2NPs) was developed. The universal force field option in the Materials Studio® software was applied to the mode...

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来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.