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2019 | 1 |
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Page 1
Multiscale Computational Study of the Conformation of the Full-Length Intrinsically Disordered Protein MeCP2.
J Chem Inf Model. 2022 Feb 28;62(4):958-970. doi: 10.1021/acs.jcim.1c01354. Epub 2022 Feb 7.
J Chem Inf Model. 2022.
PMID: 35130441
Identification of Catechins' Binding Sites in Monomeric Aβ42 through Ensemble Docking and MD Simulations.
Firouzi R, Sowlati-Hashjin S, Chávez-García C, Ashouri M, Karimi-Jafari MH, Karttunen M.
Firouzi R, et al. Among authors: chavez garcia c.
Int J Mol Sci. 2023 May 3;24(9):8161. doi: 10.3390/ijms24098161.
Int J Mol Sci. 2023.
PMID: 37175868
Free PMC article.
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Quantifying correlations between mutational sites in the catalytic subunit of γ-secretase.
Chávez-García C, Aguayo-Ortiz R, Dominguez L.
Chávez-García C, et al.
J Mol Graph Model. 2019 May;88:221-227. doi: 10.1016/j.jmgm.2019.02.002. Epub 2019 Feb 8.
J Mol Graph Model. 2019.
PMID: 30772652
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Highly Similar Sequence and Structure Yet Different Biophysical Behavior: A Computational Study of Two Triosephosphate Isomerases.
Chávez-García C, Karttunen M.
Chávez-García C, et al.
J Chem Inf Model. 2022 Feb 14;62(3):668-677. doi: 10.1021/acs.jcim.1c01501. Epub 2022 Jan 19.
J Chem Inf Model. 2022.
PMID: 35044757
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Characterizing the structural ensemble of γ-secretase using a multiscale molecular dynamics approach.
Aguayo-Ortiz R, Chávez-García C, Straub JE, Dominguez L.
Aguayo-Ortiz R, et al. Among authors: chavez garcia c.
Chem Sci. 2017 Aug 1;8(8):5576-5584. doi: 10.1039/c7sc00980a. Epub 2017 Jun 5.
Chem Sci. 2017.
PMID: 28970936
Free PMC article.
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