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CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides.
J Chem Inf Model. 2023 Apr 10;63(7):2240-2250. doi: 10.1021/acs.jcim.2c01573. Epub 2023 Mar 17.
J Chem Inf Model. 2023.
PMID: 36930969
Free PMC article.
Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations.
Sugita M, Fujie T, Yanagisawa K, Ohue M, Akiyama Y.
Sugita M, et al. Among authors: fujie t.
J Chem Inf Model. 2022 Sep 26;62(18):4549-4560. doi: 10.1021/acs.jcim.2c00931. Epub 2022 Sep 2.
J Chem Inf Model. 2022.
PMID: 36053061
Free PMC article.
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Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations.
Sugita M, Sugiyama S, Fujie T, Yoshikawa Y, Yanagisawa K, Ohue M, Akiyama Y.
Sugita M, et al. Among authors: fujie t.
J Chem Inf Model. 2021 Jul 26;61(7):3681-3695. doi: 10.1021/acs.jcim.1c00380. Epub 2021 Jul 8.
J Chem Inf Model. 2021.
PMID: 34236179
Free article.
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QUBO Problem Formulation of Fragment-Based Protein-Ligand Flexible Docking.
Yanagisawa K, Fujie T, Takabatake K, Akiyama Y.
Yanagisawa K, et al. Among authors: fujie t.
Entropy (Basel). 2024 Apr 30;26(5):397. doi: 10.3390/e26050397.
Entropy (Basel). 2024.
PMID: 38785647
Free PMC article.
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Impact of cis- versus trans-Configuration of Butylene Carbonate Electrolyte on Microscopic Solid Electrolyte Interphase Formation Processes in Lithium-Ion Batteries.
Miyazaki K, Takenaka N, Fujie T, Watanabe E, Yamada Y, Yamada A, Nagaoka M.
Miyazaki K, et al. Among authors: fujie t.
ACS Appl Mater Interfaces. 2019 May 1;11(17):15623-15629. doi: 10.1021/acsami.9b02416. Epub 2019 Apr 16.
ACS Appl Mater Interfaces. 2019.
PMID: 30945849
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Concentration Effect of Fluoroethylene Carbonate on the Formation of Solid Electrolyte Interphase Layer in Sodium-Ion Batteries.
Bouibes A, Takenaka N, Fujie T, Kubota K, Komaba S, Nagaoka M.
Bouibes A, et al. Among authors: fujie t.
ACS Appl Mater Interfaces. 2018 Aug 29;10(34):28525-28532. doi: 10.1021/acsami.8b07530. Epub 2018 Aug 16.
ACS Appl Mater Interfaces. 2018.
PMID: 30070476
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Red Moon methodology compatible with quantum mechanics/molecular mechanics framework: Application to solid electrolyte interphase film formation in lithium-ion battery system.
Fujie T, Takenaka N, Suzuki Y, Nagaoka M.
Fujie T, et al.
J Chem Phys. 2018 Jul 28;149(4):044113. doi: 10.1063/1.5034771.
J Chem Phys. 2018.
PMID: 30068180
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