Now showing items 1-3 of 3

  • Discrete Kinetic Models from Funneled Energy Landscape Simulations 

    Schafer, Nicholas P.; Hoffman, Ryan M.B.; Burger, Anat; Craig, Patricio O.; Komives, Elizabeth A. (2012-12-12)
    A general method for facilitating the interpretation of computer simulations of protein folding with minimally frustrated energy landscapes is detailed and applied to a designed ankyrin repeat protein (4ANK). In the method, ...
  • Funneling and frustration in the energy landscapes of some designed and simplified proteins 

    Truong, Ha H.; Kim, Bobby L.; Schafer, Nicholas P.; Wolynes, Peter G. (2013)
    We explore the similarities and differences between the energy landscapes of proteins that have been selected by nature and those of some proteins designed by humans. Natural proteins have evolved to function as well as ...
  • Predictive energy landscapes for folding α-helical transmembrane proteins 

    Kim, Bobby L.; Schafer, Nicholas P.; Wolynes, Peter G. (2014)
    We explore the hypothesis that the folding landscapes of membrane proteins are funneled once the proteins' topology within the membrane is established. We extend a protein folding model, the associative memory, water-mediated, ...