3 papers
physics.bio-ph2020
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…
q-bio.BM2020
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…
q-bio.BM2019
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…