154 citations · 711 across the 19 of their papers we have counts for
19 papers
Density Functional Theory for Protein Transfer Free Energy
Eric A Mills, Steven S Plotkin
We cast the problem of protein transfer free energy within the formalism of density functional theory (DFT), treating the protein as a source of external potential that acts upon t…
SOD1 Exhibits Allosteric Frustration to Facilitate Metal Binding Affinity
Atanu Das, Steven S. Plotkin
Superoxide dismutase-1 (SOD1) is a ubiquitous, Cu and Zn binding, free radical defense enzyme whose misfolding and aggregation play a potential key role in amyotrophic lateral scle…
Polymer uncrossing and knotting in protein folding, and their role in minimal folding pathways
Ali R. Mohazab, Steven S. Plotkin
We introduce a method for calculating the extent to which chain non-crossing is important in the most efficient, optimal trajectories or pathways for a protein to fold. This involv…
Mechanical probes of SOD1 predict systematic trends in metal and dimer affinity of ALS-associated mutants
Atanu Das, Steven S. Plotkin
Mutations and oxidative modification in the protein Cu,Zn superoxide dismutase (SOD1) have been implicated in the death of motor neurons in amyotrophic lateral sclerosis (ALS), a p…
Statistical mechanics of graph models and their implications for emergent spacetime manifolds
Si Chen, Steven S. Plotkin
Inspired by "quantum graphity" models for spacetime, a statistical model of graphs is proposed to explore possible realizations of emergent manifolds. Graphs with given numbers of…
Electrostatics in the Stability and Misfolding of the Prion Protein: Salt Bridges, Self-Energy, and Solvation
Will Guest, Neil R. Cashman, Steven S. Plotkin
Using a recently developed mesoscopic theory of protein dielectrics, we have calculated the salt bridge energies, total residue electrostatic potential energies, and transfer energ…