Ramos MJ - Search Results

1

Correlating enzymatic reactivity for different substrates using transferable data-driven collective variables.

Das S, Raucci U, Neves RPP, Ramos MJ, Parrinello M. Das S, et al. Among authors: ramos mj. Proc Natl Acad Sci U S A. 2024 Dec 3;121(49):e2416621121. doi: 10.1073/pnas.2416621121. Epub 2024 Nov 26. Proc Natl Acad Sci U S A. 2024. PMID: 39589882

2

A QM/MM study of the reaction mechanism of human β-ketoacyl reductase.

Medina FE, Neves RP, Ramos MJ, Fernandes PA. Medina FE, et al. Among authors: ramos mj. Phys Chem Chem Phys. 2016 Dec 21;19(1):347-355. doi: 10.1039/c6cp07014k. Phys Chem Chem Phys. 2016. PMID: 27905606

3

Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase.

Neves RPP, Fernandes PA, Ramos MJ. Neves RPP, et al. Among authors: ramos mj. Proc Natl Acad Sci U S A. 2017 Jun 13;114(24):E4724-E4733. doi: 10.1073/pnas.1618985114. Epub 2017 May 30. Proc Natl Acad Sci U S A. 2017. PMID: 28559343 Free PMC article.

4

Modeling of Human Fatty Acid Synthase and in Silico Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains.

Viegas MF, Neves RPP, Ramos MJ, Fernandes PA. Viegas MF, et al. Among authors: ramos mj. J Phys Chem B. 2018 Jan 11;122(1):77-85. doi: 10.1021/acs.jpcb.7b09645. Epub 2018 Jan 2. J Phys Chem B. 2018. PMID: 29210581

5

Towards the Accurate Thermodynamic Characterization of Enzyme Reaction Mechanisms.

Neves RPP, Cunha AV, Fernandes PA, Ramos MJ. Neves RPP, et al. Among authors: ramos mj. Chemphyschem. 2022 Jul 5;23(13):e202200159. doi: 10.1002/cphc.202200159. Epub 2022 May 19. Chemphyschem. 2022. PMID: 35499146

6

Different Enzyme Conformations Induce Different Mechanistic Traits in HIV-1 Protease.

Coimbra JTS, Neves RPP, Cunha AV, Ramos MJ, Fernandes PA. Coimbra JTS, et al. Among authors: ramos mj. Chemistry. 2022 Jul 26;28(42):e202201066. doi: 10.1002/chem.202201066. Epub 2022 Jun 27. Chemistry. 2022. PMID: 35686565

7

Role of Enzyme and Active Site Conformational Dynamics in the Catalysis by α-Amylase Explored with QM/MM Molecular Dynamics.

Neves RPP, Fernandes PA, Ramos MJ. Neves RPP, et al. Among authors: ramos mj. J Chem Inf Model. 2022 Aug 8;62(15):3638-3650. doi: 10.1021/acs.jcim.2c00691. Epub 2022 Jul 26. J Chem Inf Model. 2022. PMID: 35880954 Free PMC article.

8

Properties that rank protein:protein docking poses with high accuracy.

Simões ICM , Coimbra JTS , Neves RPP , Costa IPD , Ramos MJ , Fernandes PA . Simões ICM , et al. Among authors: ramos mj. Phys Chem Chem Phys. 2018 Aug 15;20(32):20927-20942. doi: 10.1039/c8cp03888k. Phys Chem Chem Phys. 2018. PMID: 30067268

9

Structural and mechanistic aspects of S-S bonds in the thioredoxin-like family of proteins.

Sousa SF, Neves RPP, Waheed SO, Fernandes PA, Ramos MJ. Sousa SF, et al. Among authors: ramos mj. Biol Chem. 2019 Apr 24;400(5):575-587. doi: 10.1515/hsz-2018-0319. Biol Chem. 2019. PMID: 30367780 Free article. Review.

10

Animal Fatty Acid Synthase: A Chemical Nanofactory.

Paiva P, Medina FE, Viegas M, Ferreira P, Neves RPP, Sousa JPM, Ramos MJ, Fernandes PA. Paiva P, et al. Among authors: ramos mj. Chem Rev. 2021 Aug 11;121(15):9502-9553. doi: 10.1021/acs.chemrev.1c00147. Epub 2021 Jun 22. Chem Rev. 2021. PMID: 34156235 Review.

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