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Combined NMR and molecular dynamics conformational filter identifies unambiguously dynamic ensembles of Dengue protease NS2B/NS3pro

A conformational filter that combines NMR with MD simulations to identify conformational ensembles that dominate in solution suggests dengue protease NS2B/NS3pro predominantly exists in a “closed” conformation.

Tatiana Agback
Dmitry Lesovoy
Peter Agback
ResearchOpen Access24 Nov 2023
Communications Biology

Volume: 6, P: 1-14
Apoptosis-mediated endothelial toxicity but not direct calcification or functional changes in anti-calcification proteins defines pathogenic effects of calcium phosphate bions

Anton G. Kutikhin
Elena A. Velikanova
Arseniy E. Yuzhalin
ResearchOpen Access02 Jun 2016
Scientific Reports

Volume: 6, P: 1-16

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Combined NMR and molecular dynamics conformational filter identifies unambiguously dynamic ensembles of Dengue protease NS2B/NS3pro

Apoptosis-mediated endothelial toxicity but not direct calcification or functional changes in anti-calcification proteins defines pathogenic effects of calcium phosphate bions

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