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Identification of Conomarphin Variants in the Conus eburneus Venom and the Effect of Sequence and PTM Variations on Conomarphin Conformations.
Mar Drugs. 2020 Oct 1;18(10):503. doi: 10.3390/md18100503.
Mar Drugs. 2020.
PMID: 33019526
Free PMC article.
Conformational dynamics of [Formula: see text]-conotoxin PnIB in complex solvent systems.
Gaza JT, Sampaco AB 3rd, Custodio KKS, Nellas RB.
Gaza JT, et al.
Mol Divers. 2020 Nov;24(4):1291-1299. doi: 10.1007/s11030-019-09993-w. Epub 2019 Sep 9.
Mol Divers. 2020.
PMID: 31502188
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pH-Dependent Conformations of an Antimicrobial Spider Venom Peptide, Cupiennin 1a, from Unbiased HREMD Simulations.
Gaza JT, Leyson JJC, Peña GT, Nellas RB.
Gaza JT, et al.
ACS Omega. 2021 Sep 7;6(37):24166-24175. doi: 10.1021/acsomega.1c03729. eCollection 2021 Sep 21.
ACS Omega. 2021.
PMID: 34568695
Free PMC article.
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The role of glycerol-water mixtures in the stability of FKBP12-rapalog-FRB complexes.
Lopez JJD, Gaza JT, Nellas RB.
Lopez JJD, et al. Among authors: gaza jt.
J Mol Graph Model. 2023 Nov;124:108556. doi: 10.1016/j.jmgm.2023.108556. Epub 2023 Jun 21.
J Mol Graph Model. 2023.
PMID: 37423019
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Reparameterization of Non-Bonded Parameters for Copper Ions in Plastocyanin: An Adaptive Force Matching Study.
Gaza JT, Nellas RB.
Gaza JT, et al.
J Chem Inf Model. 2023 Aug 14;63(15):4654-4663. doi: 10.1021/acs.jcim.3c00559. Epub 2023 Jul 17.
J Chem Inf Model. 2023.
PMID: 37459569
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