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2022 | 3 |
2023 | 1 |
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Page 1
Deep learning study of tyrosine reveals that roaming can lead to photodamage.
Nat Chem. 2022 Aug;14(8):914-919. doi: 10.1038/s41557-022-00950-z. Epub 2022 Jun 2.
Nat Chem. 2022.
PMID: 35655007
Protex-A Python utility for proton exchange in molecular dynamics simulations.
Joerg F, Wieder M, Schröder C.
Joerg F, et al.
Front Chem. 2023 Feb 17;11:1140896. doi: 10.3389/fchem.2023.1140896. eCollection 2023.
Front Chem. 2023.
PMID: 36874061
Free PMC article.
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Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate.
Jacobi R, Joerg F, Steinhauser O, Schröder C.
Jacobi R, et al. Among authors: joerg f.
Phys Chem Chem Phys. 2022 Apr 20;24(16):9277-9285. doi: 10.1039/d2cp00643j.
Phys Chem Chem Phys. 2022.
PMID: 35403653
Free PMC article.
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Polarizable molecular dynamics simulations on the conductivity of pure 1-methylimidazolium acetate systems.
Joerg F, Schröder C.
Joerg F, et al.
Phys Chem Chem Phys. 2022 Jun 29;24(25):15245-15254. doi: 10.1039/d2cp01501c.
Phys Chem Chem Phys. 2022.
PMID: 35703101
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Updates to Protex for Simulating Proton Transfers in an Ionic Liquid.
Gődény M, Joerg F, Kovar MP, Schröder C.
Gődény M, et al. Among authors: joerg f.
J Phys Chem B. 2024 Apr 11;128(14):3416-3426. doi: 10.1021/acs.jpcb.3c07356. Epub 2024 Apr 1.
J Phys Chem B. 2024.
PMID: 38557106
Free PMC article.
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