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Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces.
J Chem Inf Model. 2022 Sep 12;62(17):4083-4094. doi: 10.1021/acs.jcim.2c00466. Epub 2022 Aug 31.
J Chem Inf Model. 2022.
PMID: 36044342
Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors.
da Costa CHS, Bonatto V, Dos Santos AM, Lameira J, Leitão A, Montanari CA.
da Costa CHS, et al.
J Chem Inf Model. 2020 Feb 24;60(2):880-889. doi: 10.1021/acs.jcim.9b00847. Epub 2020 Jan 27.
J Chem Inf Model. 2020.
PMID: 31944110
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Thermostability Enhancement of GH 62 α-l-Arabinofuranosidase by Directed Evolution and Rational Design.
Martins M, Dos Santos AM, da Costa CHS, Canner SW, Chungyoun M, Gray JJ, Skaf MS, Ostermeier M, Goldbeck R.
Martins M, et al. Among authors: da costa chs.
J Agric Food Chem. 2024 Feb 28;72(8):4225-4236. doi: 10.1021/acs.jafc.3c08019. Epub 2024 Feb 14.
J Agric Food Chem. 2024.
PMID: 38354215
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Assessment of mutations on RBD in the Spike protein of SARS-CoV-2 Alpha, Delta and Omicron variants.
da Costa CHS, de Freitas CAB, Alves CN, Lameira J.
da Costa CHS, et al.
Sci Rep. 2022 May 20;12(1):8540. doi: 10.1038/s41598-022-12479-9.
Sci Rep. 2022.
PMID: 35595778
Free PMC article.
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Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding.
da Costa CHS, Dos Santos AM, Alves CN, Martí S, Moliner V, Santana K, Lameira J.
da Costa CHS, et al.
Proteins. 2021 Oct;89(10):1340-1352. doi: 10.1002/prot.26155. Epub 2021 Jun 11.
Proteins. 2021.
PMID: 34075621
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Exploring the Potentiality of Natural Products from Essential Oils as Inhibitors of Odorant-Binding Proteins: A Structure- and Ligand-Based Virtual Screening Approach To Find Novel Mosquito Repellents.
da Costa KS, Galúcio JM, da Costa CHS, Santana AR, Dos Santos Carvalho V, do Nascimento LD, Lima E Lima AH, Neves Cruz J, Alves CN, Lameira J.
da Costa KS, et al. Among authors: da costa chs.
ACS Omega. 2019 Dec 17;4(27):22475-22486. doi: 10.1021/acsomega.9b03157. eCollection 2019 Dec 31.
ACS Omega. 2019.
PMID: 31909330
Free PMC article.
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