Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models
Author:
Affiliation:
1. Department of Mechanical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama223-8522, Japan
2. Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka560-8531, Japan
Funder
Ministry of Education, Culture, Sports, Science and Technology
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01316
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1. Permeability and Electrical Properties of Thin Lipid Membranes
2. The permeability to water of bimolecular lipid membranes
3. The solution-diffusion model: a review
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