de Melo-Minardi RC - Search Results

1

Elucidating the molecular mechanisms of essential oils' insecticidal action using a novel cheminformatics protocol.

Corrêa EJA, Carvalho FC, de Castro Oliveira JA, Bertolucci SKV, Scotti MT, Silveira CH, Guedes FC, Melo JOF, de Melo-Minardi RC, de Lima LHF. Corrêa EJA, et al. Among authors: de melo minardi rc. Sci Rep. 2023 Mar 21;13(1):4598. doi: 10.1038/s41598-023-29981-3. Sci Rep. 2023. PMID: 36944648 Free PMC article.

2

A Computational Method to Propose Mutations in Enzymes Based on Structural Signature Variation (SSV).

Mariano DCB, Santos LH, Machado KDS, Werhli AV, de Lima LHF, de Melo-Minardi RC. Mariano DCB, et al. Int J Mol Sci. 2019 Jan 15;20(2):333. doi: 10.3390/ijms20020333. Int J Mol Sci. 2019. PMID: 30650542 Free PMC article.

3

E-Volve: understanding the impact of mutations in SARS-CoV-2 variants spike protein on antibodies and ACE2 affinity through patterns of chemical interactions at protein interfaces.

Dos Santos VP, Rodrigues A, Dutra G, Bastos L, Mariano D, Mendonça JG, Lobo YJG, Mendes E, Maia G, Machado KDS, Werhli AV, Rocha G, de Lima LHF, de Melo-Minardi R. Dos Santos VP, et al. PeerJ. 2022 Mar 22;10:e13099. doi: 10.7717/peerj.13099. eCollection 2022. PeerJ. 2022. PMID: 35341044 Free PMC article.

4

Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 β-glucosidase probed by multiple MD and computational approaches.

Rocha REO, Mariano DCB, Almeida TS, CorrêaCosta LS, Fischer PHC, Santos LH, Caffarena ER, da Silveira CH, Lamp LM, Fernandez-Quintero ML, Liedl KR, de Melo-Minardi RC, de Lima LHF. Rocha REO, et al. Among authors: de melo minardi rc. Proteins. 2023 Feb;91(2):218-236. doi: 10.1002/prot.26424. Epub 2022 Oct 10. Proteins. 2023. PMID: 36114781

5

VTR: A Web Tool for Identifying Analogous Contacts on Protein Structures and Their Complexes.

Pimentel V, Mariano D, Cantão LXS, Bastos LL, Fischer P, de Lima LHF, Fassio AV, de Melo-Minardi RC. Pimentel V, et al. Among authors: de melo minardi rc. Front Bioinform. 2021 Nov 8;1:730350. doi: 10.3389/fbinf.2021.730350. eCollection 2021. Front Bioinform. 2021. PMID: 36303745 Free PMC article.

6

Molecular Dynamics Gives New Insights into the Glucose Tolerance and Inhibition Mechanisms on β-Glucosidases.

Costa LSC, Mariano DCB, Rocha REO, Kraml J, Silveira CHD, Liedl KR, de Melo-Minardi RC, Lima LHF. Costa LSC, et al. Molecules. 2019 Sep 4;24(18):3215. doi: 10.3390/molecules24183215. Molecules. 2019. PMID: 31487855 Free PMC article.

7

Propedia: a database for protein-peptide identification based on a hybrid clustering algorithm.

Martins PM, Santos LH, Mariano D, Queiroz FC, Bastos LL, Gomes IS, Fischer PHC, Rocha REO, Silveira SA, de Lima LHF, de Magalhães MTQ, Oliveira MGA, de Melo-Minardi RC. Martins PM, et al. Among authors: de melo minardi rc. BMC Bioinformatics. 2021 Jan 2;22(1):1. doi: 10.1186/s12859-020-03881-z. BMC Bioinformatics. 2021. PMID: 33388027 Free PMC article.

8

GRaSP-web: a machine learning strategy to predict binding sites based on residue neighborhood graphs.

Santana CA, Izidoro SC, de Melo-Minardi RC, Tyzack JD, Ribeiro AJM, Pires DEV, Thornton JM, de A Silveira S. Santana CA, et al. Among authors: de melo minardi rc. Nucleic Acids Res. 2022 Jul 5;50(W1):W392-W397. doi: 10.1093/nar/gkac323. Nucleic Acids Res. 2022. PMID: 35524575 Free PMC article.

9

Prioritizing Virtual Screening with Interpretable Interaction Fingerprints.

Fassio AV, Shub L, Ponzoni L, McKinley J, O'Meara MJ, Ferreira RS, Keiser MJ, de Melo Minardi RC. Fassio AV, et al. Among authors: de melo minardi rc. J Chem Inf Model. 2022 Sep 26;62(18):4300-4318. doi: 10.1021/acs.jcim.2c00695. Epub 2022 Sep 14. J Chem Inf Model. 2022. PMID: 36102784

10

HydroPaCe: understanding and predicting cross-inhibition in serine proteases through hydrophobic patch centroids.

Gonçalves-Almeida VM, Pires DE, de Melo-Minardi RC, da Silveira CH, Meira W, Santoro MM. Gonçalves-Almeida VM, et al. Bioinformatics. 2012 Feb 1;28(3):342-9. doi: 10.1093/bioinformatics/btr680. Epub 2011 Dec 9. Bioinformatics. 2012. PMID: 22171332

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