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A Benchmark Study of Quantum Mechanics and Quantum Mechanics-Molecular Mechanics Methods for Carbocation Chemistry.
J Chem Theory Comput. 2022 Jan 11;18(1):167-178. doi: 10.1021/acs.jctc.1c00746. Epub 2021 Dec 14.
J Chem Theory Comput. 2022.
PMID: 34905380
Discovering Monoterpene Catalysis Inside Nanocapsules with Multiscale Modeling and Experiments.
Pahima E, Zhang Q, Tiefenbacher K, Major DT.
Pahima E, et al.
J Am Chem Soc. 2019 Apr 17;141(15):6234-6246. doi: 10.1021/jacs.8b13411. Epub 2019 Apr 5.
J Am Chem Soc. 2019.
PMID: 30907083
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Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channels.
Rozenberg A, Kaczmarczyk I, Matzov D, Vierock J, Nagata T, Sugiura M, Katayama K, Kawasaki Y, Konno M, Nagasaka Y, Aoyama M, Das I, Pahima E, Church J, Adam S, Borin VA, Chazan A, Augustin S, Wietek J, Dine J, Peleg Y, Kawanabe A, Fujiwara Y, Yizhar O, Sheves M, Schapiro I, Furutani Y, Kandori H, Inoue K, Hegemann P, Béjà O, Shalev-Benami M.
Rozenberg A, et al. Among authors: pahima e.
Nat Struct Mol Biol. 2022 Jun;29(6):592-603. doi: 10.1038/s41594-022-00783-x. Epub 2022 Jun 16.
Nat Struct Mol Biol. 2022.
PMID: 35710843
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