Machine learning of performance space mapping for the DPD simulation of drug delivery to endothelial cells

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-04-05 DOI:10.1080/08927022.2024.2333903

Saeed Akbari Shandiz, Soumya Ray, Fei Zhou, Xiao Chen, Joao Maia

引用次数: 0

Abstract

Despite huge effort over the years, the design of functionalised nanocarriers (NCs) for targeted drug delivery to endothelial cells is still to be completely unveiled. Dissipative particle dynamics...

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用于内皮细胞给药 DPD 模拟的性能空间映射机器学习

尽管多年来人们付出了巨大努力，但用于内皮细胞靶向给药的功能化纳米载体（NCs）的设计仍未完全揭开神秘的面纱。耗散粒子动力学...

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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.