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The Energetic Origins of Pi-Pi Contacts in Proteins.
Carter-Fenk K, Liu M, Pujal L, Loipersberger M, Tsanai M, Vernon RM, Forman-Kay JD, Head-Gordon M, Heidar-Zadeh F, Head-Gordon T. Carter-Fenk K, et al. Among authors: pujal l. J Am Chem Soc. 2023 Nov 2;145(45):24836-51. doi: 10.1021/jacs.3c09198. Online ahead of print. J Am Chem Soc. 2023. PMID: 37917924 Free PMC article.
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files.
Verstraelen T, Adams W, Pujal L, Tehrani A, Kelly BD, Macaya L, Meng F, Richer M, Hernández-Esparza R, Yang XD, Chan M, Kim TD, Cools-Ceuppens M, Chuiko V, Vöhringer-Martinez E, Ayers PW, Heidar-Zadeh F. Verstraelen T, et al. Among authors: pujal l. J Comput Chem. 2021 Mar 5;42(6):458-464. doi: 10.1002/jcc.26468. Epub 2020 Dec 27. J Comput Chem. 2021. PMID: 33368350