An Unfitted Finite Element Poisson–Boltzmann Solver with Automatic Resolving of Curved Molecular Surface-Reference-Cited by-同舟云学术

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An Unfitted Finite Element Poisson–Boltzmann Solver with Automatic Resolving of Curved Molecular Surface

Published:2024-07-01 Issue:27 Volume:128 Page:6463-6475
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Liu Ziyang¹²^ORCID,Gui Sheng²³^ORCID,Lu Benzhuo¹²^ORCID,Zhang Linbo¹²

Affiliation:

1. ICMSEC, LSEC, NCMIS, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100190, China

2. School of Mathematical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China

3. Key Laboratory of Systems and Control, Institute of Systems Science, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100190, China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.4c01894

Reference72 articles.

1. Focusing of electric fields in the active site of Cu-Zn superoxide dismutase: Effects of ionic strength and amino-acid modification

2. Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

3. Electrostatics of nanosystems: Application to microtubules and the ribosome

4. Petrey, D.; Honig, B. Macromolecular Crystallography, Part D; Methods in Enzymology; Academic Press, 2003; Vol. 374; pp 492–509.

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