Electronic polarization effects on membrane translocation of anti-cancer drugs-Reference-Cited by-同舟云学术

Electronic polarization effects on membrane translocation of anti-cancer drugs

Published:2022 Issue:20 Volume:24 Page:12281-12292
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

(Najla) Hosseini Atiyeh¹^ORCID,Lund Mikael²³^ORCID,Ejtehadi Mohammad Reza⁴^ORCID

Affiliation:

1. Institute for Nanoscience and Nanotechnology, Sharif University of Technology, Tehran, Iran

2. Division of Theoretical Chemistry, Lund University, Lund, Sweden

3. LINXS - Lund Institute for Advanced Neutral and X-ray Scattering, Lund University, Sweden

4. Department of Physics, Sharif University of Technology, Tehran, Iran

Abstract

Charge Switching (CS) method, introduced here, can significantly improve free energy calculation for membrane translocation considering the local electronic polarization effects.

Funder

Royal Swedish Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP00056C

Reference59 articles.

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4. Amyloid Polymorphism in the Protein Folding and Aggregation Energy Landscape

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