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Rational Design of Novel Glycomimetic Peptides for E-Selectin Targeting.
J Chem Inf Model. 2021 May 24;61(5):2463-2474. doi: 10.1021/acs.jcim.1c00295. Epub 2021 Apr 30.
J Chem Inf Model. 2021.
PMID: 33929203
Interdimeric Curvature in Tubulin-Tubulin Complexes Delineates the Microtubule-Destabilizing Properties of Plocabulin.
Navarrete KR, Jiménez VA.
Navarrete KR, et al.
J Chem Inf Model. 2020 Aug 24;60(8):4076-4084. doi: 10.1021/acs.jcim.0c00626. Epub 2020 Jul 29.
J Chem Inf Model. 2020.
PMID: 32687349
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Structural insight into epothilones antitumor activity based on the conformational preferences and tubulin binding modes of epothilones A and B obtained from molecular dynamics simulations.
Jiménez VA, Alderete JB, Navarrete KR.
Jiménez VA, et al. Among authors: navarrete kr.
J Biomol Struct Dyn. 2015;33(4):789-803. doi: 10.1080/07391102.2014.911702. Epub 2014 Apr 28.
J Biomol Struct Dyn. 2015.
PMID: 24773261
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Structural basis for drug resistance conferred by β-tubulin mutations: a molecular modeling study on native and mutated tubulin complexes with epothilone B.
Navarrete KR, Alderete JB, Jiménez VA.
Navarrete KR, et al.
J Biomol Struct Dyn. 2015;33(12):2530-40. doi: 10.1080/07391102.2015.1063455. Epub 2015 Jul 17.
J Biomol Struct Dyn. 2015.
PMID: 26081685
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Molecular modeling study on the tubulin-binding modes of epothilone derivatives: Insight into the structural basis for epothilones activity.
Jiménez VA, Alderete JB, Navarrete KR.
Jiménez VA, et al. Among authors: navarrete kr.
Chem Biol Drug Des. 2017 Dec;90(6):1247-1259. doi: 10.1111/cbdd.13046. Epub 2017 Jul 18.
Chem Biol Drug Des. 2017.
PMID: 28632973
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Molecular modeling study on the differential microtubule-stabilizing effect in singly- and doubly-bonded complexes with peloruside A and paclitaxel.
Zúñiga MA, Alderete JB, Jaña GA, Navarrete KR, Jiménez VA.
Zúñiga MA, et al. Among authors: navarrete kr.
Proteins. 2019 Aug;87(8):668-678. doi: 10.1002/prot.25692. Epub 2019 Apr 23.
Proteins. 2019.
PMID: 30958582
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