4 papers
Exploring the Thermostability of CRISPR Cas12b using Molecular Dynamics Simulations
Yinhao Jia, Katelynn Horvath, Santosh R. Rananaware +2
CRISPR (clustered regularly interspaced short palindromic repeat)- based diagnostics are at the forefront of rapid detection platforms of infectious diseases. The integration of re…
Insights into Protein Unfolding under pH, Temperature, and Shear using Molecular Dynamics Simulations
Yinhao Jia, Clare Cocker, Janani Sampath
Protein biologics hold immense potential in therapeutic applications, but their ephemeral nature has hindered their widespread application. The effects of different stressors on pr…
Hydroxide Transport and Mechanical Properties of Polyolefin-Based Anion Exchange Membranes from Atomistic Molecular Dynamics Simulations
Mohammed Al Otmi, Ping Lin, William Schertzer +3
Anion exchange membranes are used in alkaline fuel cells and offer a promising alternative to the more expensive proton exchange membrane fuel cells. However, hydroxide ion conduct…
Evolution of Free Volume Elements in Amorphous Polymers Undergoing Uniaxial Deformation: a Molecular Dynamics Simulation Study
Brendan Wernisch, Mohammed Al Otmi, Egan Beauvais +1
Amorphous polymers are considered promising materials for separations due to their excellent transport properties and low fabrication costs. The separation performance of a membran…