Eric W. Weisel
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View article: Computational Simulation Is a Vital Resource for Navigating the COVID-19 Pandemic
Computational Simulation Is a Vital Resource for Navigating the COVID-19 Pandemic Open
Introduction COVID-19 has prompted the extensive use of computational models to understand the trajectory of the pandemic. This article surveys the kinds of dynamic simulation models that have been used as decision support tools and to for…
View article: Polyacrylamide in glycerol solutions from an atomistic perspective of the energetics, structure, and dynamics
Polyacrylamide in glycerol solutions from an atomistic perspective of the energetics, structure, and dynamics Open
All-atom molecular dynamics is used to investigate the structural, energetic, and dynamical properties of polyacrylamide (PAM) oligomers of different lengths solvated in pure glycerol, a 90:10 glycerol–water mixture, and pure water. We pre…