Browsing by Subject "molecular dynamics"
Now showing items 1-3 of 3
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Calcineurin Inhibitor CN585 Exhibits Off-Target Effects in the Human Fungal Pathogen Aspergillus fumigatus.
(Journal of fungi (Basel, Switzerland), 2022-12)Calcineurin (CN) is an attractive antifungal target as it is critical for growth, stress response, drug resistance, and virulence in fungal pathogens. The immunosuppressive drugs, tacrolimus (FK506) and cyclosporin A (CsA), ... -
Sequence-Dependence of DX DNA Electronic Properties and Thermal Fluctuations
(2013-04-30)The Watson-Crick base-pairing of DNA has been exploited through sticky-end cohesion and branched junctions to create complex self-assemblying nanostructures. The double-crossover (DX) junction is a common motif in these ... -
The (Un)Folding of Multidomain Proteins Through the Lens of Single-molecule Force-spectroscopy and Computer Simulation
(2016)Proteins are specialized molecules that catalyze most of the reactions that can sustain life, and they become functional by folding into a specific 3D structure. Despite their importance, the question, "how do proteins fold?" ...
