3 citations · 4 across the 4 of their papers we have counts for
4 papers
Dummy Atom Based Thermodynamic Integration Accurately Predicts Disulfide Redox Free Energies in Proteins
Daniel Mejia-Rodriguez, Suman Samantray, Margaret S. Cheung +1
A thermodynamic integration (TI) protocol incorporating dummy atoms is introduced to calculate free energy differences for disulfide bond formation in proteins. This method success…
Thiol post-translational modifications modulate allosteric regulation of the OpcA-G6PDH complex through conformational gate control
Hoshin Kim, Song Feng, Pavlo Bohutskyi +5
Cyanobacteria require ultra-fast metabolic switching to maintain reducing power balance during environmental fluctuations. Glucose-6-phosphate dehydrogenase (G6PDH), catalyzing the…
PTM-Psi on the Cloud
Suman Samantray, Margot Lockwood, Amity Andersen +4
We developed an advanced computational framework to accelerate the study of the impact of post-translational modifications on protein structures and interactions (PTM-Psi) using as…
Transcriptome and Redox Proteome Reveal Temporal Scales of Carbon Metabolism Regulation in Model Cyanobacteria Under Light Disturbance
Connah G. M. Johnson, Zachary Johnson, Liam S. Mackey +7
We develop a systems approach based on an energy-landscape concept to differentiate interactions involving redox activities and conformational changes of proteins and nucleic acids…