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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. 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
Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Horikoshi N, Hwang S, Gati C, Matsui T, Castillo-Orellana C, Raub AG, Garcia AA, Jabbarpour F, Batyuk A, Broweleit J, Xiang X, Chiang A, Broweleit R, Vöhringer-Martinez E, Mochly-Rosen D, Wakatsuki S. Horikoshi N, et al. Proc Natl Acad Sci U S A. 2021 Jan 26;118(4):e2022790118. doi: 10.1073/pnas.2022790118. Proc Natl Acad Sci U S A. 2021. PMID: 33468660 Free PMC article.
49 results