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physics.bio-ph2024
Identifying the minimal sets of distance restraints for FRET-assisted protein structural modeling
Zhuoyi Liu, Alex T. Grigas, Jacob Sumner +3
Proteins naturally occur in crowded cellular environments and interact with other proteins, nucleic acids, and organelles. Since most previous experimental protein structure determ…
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…