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Alternative weighting schemes for fine-tuned extended similarity indices.
López Pérez K, Rácz A, Bajusz D, Gonzalez C, Héberger K, Miranda-Quintana RA. López Pérez K, et al. Among authors: miranda quintana ra. J Chemom. 2024 Sep;38(9):e3558. doi: 10.1002/cem.3558. Epub 2024 May 11. J Chemom. 2024. PMID: 39640020 Free PMC article.
PyCI: A Python-scriptable library for arbitrary determinant CI.
Richer M, Sánchez-Díaz G, Martínez-González M, Chuiko V, Kim TD, Tehrani A, Wang S, Gaikwad PB, de Moura CEV, Masschelein C, Miranda-Quintana RA, Gerolin A, Heidar-Zadeh F, Ayers PW. Richer M, et al. Among authors: miranda quintana ra. J Chem Phys. 2024 Oct 7;161(13):132502. doi: 10.1063/5.0219010. J Chem Phys. 2024. PMID: 39365017
Efficient clustering of large molecular libraries.
Pérez KL, Jung V, Chen L, Huddleston K, Miranda-Quintana RA. Pérez KL, et al. Among authors: miranda quintana ra. bioRxiv [Preprint]. 2024 Aug 10:2024.08.10.607459. doi: 10.1101/2024.08.10.607459. bioRxiv. 2024. PMID: 39149242 Free PMC article. Preprint.
iSIM: instant similarity.
López-Pérez K, Kim TD, Miranda-Quintana RA. López-Pérez K, et al. Among authors: miranda quintana ra. Digit Discov. 2024 May 7;3(6):1160-1171. doi: 10.1039/d4dd00041b. eCollection 2024 Jun 12. Digit Discov. 2024. PMID: 38873032 Free PMC article.
Flexible Ansatz for N-Body Perturbation Theory.
Miranda-Quintana RA, Kim TD, Lokhande RA, Richer M, Sánchez-Díaz G, Gaikwad PB, Ayers PW. Miranda-Quintana RA, et al. J Phys Chem A. 2024 May 2;128(17):3458-3467. doi: 10.1021/acs.jpca.4c00855. Epub 2024 Apr 23. J Phys Chem A. 2024. PMID: 38651558
55 results