Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Joshua Zuchniarz"'
Publikováno v:
Frontiers in Chemistry, Vol 7 (2019)
In this study, mechanisms of phosphodiester hydrolysis catalyzed by six di- and tetravalent metal-cyclen (M-C) complexes (Zn-C, Cu-C, Co-C, Ce-C, Zr-C and Ti-C) have been investigated using DFT calculations. The activities of these complexes were stu
Externí odkaz:
https://doaj.org/article/fbfc16165994411da17340fc95e6c665
Publikováno v:
The journal of physical chemistry. B. 126(38)
Classical molecular dynamics simulations are a versatile tool in the study of biomolecular systems, but they usually rely on a fixed bonding topology, precluding the explicit simulation of chemical reactivity. Certain modifications can permit the mod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::cdb027a63b1e5a03b7ac38cb590a624a
https://pubmed.ncbi.nlm.nih.gov/36106487
https://pubmed.ncbi.nlm.nih.gov/36106487
Publikováno v:
The Journal of Physical Chemistry B. 126:7321-7330
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::adfddb28349849e45cc1046834a06f4c
https://doi.org/10.1021/acs.jpcb.2c04899
https://doi.org/10.1021/acs.jpcb.2c04899
Autor:
Gregory A. Voth, Valerie Grum-Tokars, Reiner Bleher, Shengwang Zhou, Kelly Parker, Benoît Roux, Justin A. Modica, Peng He, Roberto dos Reis, Vinayak P. Dravid, Milan Mrksich, Ying Li, Joshua Zuchniarz, Sonali Dhindwal
Publikováno v:
Biomacromolecules. 22(6)
This paper describes the synthesis, characterization, and modeling of a series of molecules having four protein domains attached to a central core. The molecules were assembled with the "megamolecule" strategy, wherein enzymes react with their covale
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d58028196c136a3a59628d71c961eeda
https://pubmed.ncbi.nlm.nih.gov/33979120
https://pubmed.ncbi.nlm.nih.gov/33979120
Publikováno v:
Canadian Journal of Chemistry. 94:1090-1098
In this computational study, we have combined molecular docking and molecular dynamics (MD) simulation techniques to explore interactions of monomeric and aggregated forms of Alzheimer’s amyloid beta (Aβ40) with seven chemically distinct heparin d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::251716c8c74f9e8864c41ca01f2658d8
https://doi.org/10.1139/cjc-2016-0292
https://doi.org/10.1139/cjc-2016-0292
Autor:
Alejandro Martinez-Consuegra, Joshua Zuchniarz, Carlos Gueto-Tettay, Luis Roberto Gueto-Tettay, Juan Carlos Drosos-Ramirez
Publikováno v:
Journal of molecular graphicsmodelling. 76
BACE1 is an enzyme of scientific interest because it participates in the progression of Alzheimer’s disease. Hydroxyethylamines (HEAs) are a family of compounds which exhibit inhibitory activity toward BACE1 at a nanomolar level, favorable pharmaco
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4530de30828fd6003300afceb57210e
https://pubmed.ncbi.nlm.nih.gov/28746905
https://pubmed.ncbi.nlm.nih.gov/28746905
Autor:
Yeyson Fortich-Seca, Carlos Gueto-Tettay, Joshua Zuchniarz, Luis Roberto Gueto-Tettay, Juan Carlos Drosos-Ramirez
Publikováno v:
Journal of molecular graphicsmodelling. 70
BACE1 is an aspartyl protease which is a therapeutic target for Alzheimer's disease (AD) because of its participation in the rate-limiting step in the production of Aβ-peptide, the accumulation of which produces senile plaques and, in turn, the neur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6379cabce180cf27d5725c5944e8395
https://pubmed.ncbi.nlm.nih.gov/27750187
https://pubmed.ncbi.nlm.nih.gov/27750187