Miranda-Quintana RA - Search Results

1

Diversity and Chemical Library Networks of Large Data Sets.

Dunn TB, Seabra GM, Kim TD, Juárez-Mercado KE, Li C, Medina-Franco JL, Miranda-Quintana RA. Dunn TB, et al. J Chem Inf Model. 2022 May 9;62(9):2186-2201. doi: 10.1021/acs.jcim.1c01013. Epub 2021 Nov 1. J Chem Inf Model. 2022. PMID: 34723537

2

Extended continuous similarity indices: theory and application for QSAR descriptor selection.

Rácz A, Dunn TB, Bajusz D, Kim TD, Miranda-Quintana RA, Héberger K. Rácz A, et al. J Comput Aided Mol Des. 2022 Mar;36(3):157-173. doi: 10.1007/s10822-022-00444-7. Epub 2022 Mar 15. J Comput Aided Mol Des. 2022. PMID: 35288838

3

Molecular Dynamics Simulations and Diversity Selection by Extended Continuous Similarity Indices.

Rácz A, Mihalovits LM, Bajusz D, Héberger K, Miranda-Quintana RA. Rácz A, et al. J Chem Inf Model. 2022 Jul 25;62(14):3415-3425. doi: 10.1021/acs.jcim.2c00433. Epub 2022 Jul 14. J Chem Inf Model. 2022. PMID: 35834424 Free PMC article.

4

Fanpy: A python library for prototyping multideterminant methods in ab initio quantum chemistry.

Kim TD, Richer M, Sánchez-Díaz G, Miranda-Quintana RA, Verstraelen T, Heidar-Zadeh F, Ayers PW. Kim TD, et al. J Comput Chem. 2023 Feb 15;44(5):697-709. doi: 10.1002/jcc.27034. Epub 2022 Nov 28. J Comput Chem. 2023. PMID: 36440947

5

Sampling and Mapping Chemical Space with Extended Similarity Indices.

López-Pérez K, López-López E, Medina-Franco JL, Miranda-Quintana RA. López-Pérez K, et al. Among authors: miranda quintana ra. Molecules. 2023 Aug 30;28(17):6333. doi: 10.3390/molecules28176333. Molecules. 2023. PMID: 37687162 Free PMC article.

6

Differential Consistency Analysis: Which Similarity Measures can be Applied in Drug Discovery?

Miranda-Quintana RA, Bajusz D, Rácz A, Héberger K. Miranda-Quintana RA, et al. Mol Inform. 2021 Jul;40(7):e2060017. doi: 10.1002/minf.202060017. Epub 2021 Apr 23. Mol Inform. 2021. PMID: 33891369

7

Extended many-item similarity indices for sets of nucleotide and protein sequences.

Bajusz D, Miranda-Quintana RA, Rácz A, Héberger K. Bajusz D, et al. Comput Struct Biotechnol J. 2021 Jun 16;19:3628-3639. doi: 10.1016/j.csbj.2021.06.021. eCollection 2021. Comput Struct Biotechnol J. 2021. PMID: 34257841 Free PMC article.

8

Miranda-Quintana RA, Rácz A, Bajusz D, Héberger K. Miranda-Quintana RA, et al. J Cheminform. 2021 Apr 23;13(1):33. doi: 10.1186/s13321-021-00504-4. J Cheminform. 2021. PMID: 33892799 Free PMC article.

9

Improving the analysis of biological ensembles through extended similarity measures.

Chang L, Perez A, Miranda-Quintana RA. Chang L, et al. Phys Chem Chem Phys. 2021 Dec 22;24(1):444-451. doi: 10.1039/d1cp04019g. Phys Chem Chem Phys. 2021. PMID: 34897334

10

Charge transfer at finite temperature: The "|Δμ| big is good" principle.

Miranda-Quintana RA. Miranda-Quintana RA. J Chem Phys. 2022 Oct 21;157(15):156101. doi: 10.1063/5.0107355. J Chem Phys. 2022. PMID: 36272807

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