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Mechanism studies on the cellular internalization of nanoparticles using computer simulations: A review
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  • Yun Hao Feng,
  • Bo Zhi Chen,
  • Wen Min Fei,
  • Yong Cui,
  • Xin Dong Guo
Yun Hao Feng
Beijing University of Chemical Technology
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Bo Zhi Chen
Beijing University of Chemical Technology
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Wen Min Fei
China-Japan Friendship Hospital
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Yong Cui
China-Japan Friendship Hospital
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Tsinghua Shenzhen International Graduate School
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Xin Dong Guo
Beijing University of Chemical Technology
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Nanomaterial drug delivery systems have become one of the most important targeted therapy technologies. Although great efforts have been made to study the self-assembled mesoscopic structure of nanoparticles and understand drug loading and release mechanisms, the interaction between nanoparticles and cell membranes has not yet been clearly studied. Moreover, the research of experimental methods in this field has been greatly restricted due to its special time-space scale, so it is necessary to apply computer simulations to visualize the cell internalization of the nanoparticle. This review covers modelling methods and the current status and viewpoints of research on the influencing factors of the nanoparticle-biomembrane interaction mechanism. In particular, we discussed in detail the positive and negative effects of various nanoparticle properties. This article may assist researchers in rationally optimize the nanoparticle structure to improve therapeutic efficiency.

Peer review status:Published

10 Jun 2021Submitted to AIChE Journal
26 Jun 2021Submission Checks Completed
26 Jun 2021Assigned to Editor
28 Jun 2021Reviewer(s) Assigned
03 Aug 2021Editorial Decision: Revise Minor
18 Aug 20211st Revision Received
28 Aug 2021Submission Checks Completed
28 Aug 2021Assigned to Editor
30 Aug 2021Reviewer(s) Assigned
10 Oct 2021Editorial Decision: Accept
Feb 2022Published in AIChE Journal volume 68 issue 2. 10.1002/aic.17507