4 papers
Current MD forcefields fail to capture key features of protein structure and fluctuations: A case study of cyclophilin A and T4 lysozyme
Zhe Mei, Alex T. Grigas, John D. Treado +6
Globular proteins undergo thermal fluctuations in solution, while maintaining an overall well-defined folded structure. In particular, studies have shown that the core structure of…
Using physical features of protein core packing to distinguish real proteins from decoys
Alex T. Grigas, Zhe Mei, John D. Treado +3
The ability to consistently distinguish real protein structures from computationally generated model decoys is not yet a solved problem. One route to distinguish real protein struc…
Analyses of protein cores reveal fundamental differences between solution and crystal structures
Zhe Mei, John D. Treado, Alex T. Grigas +3
There have been several studies suggesting that protein structures solved by NMR spectroscopy and x-ray crystallography show significant differences. To understand the origin of th…
Void distributions reveal structural link between jammed packings and protein cores
John D. Treado, Zhe Mei, Lynne Regan +1
Dense packing of hydrophobic residues in the cores of globular proteins determines their stability. Recently, we have shown that protein cores possess packing fraction $ϕ\approx 0.…