Combining NMR and Computer Simulations to Evaluate Cdc25B Protein Flexibility
نویسندگان
چکیده
منابع مشابه
Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.
The conformation of saccharides in solution is challenging to characterize in the context of a single well-defined three-dimensional structure. Instead, they are better represented by an ensemble of conformations associated with their structural diversity and flexibility. In this study, we delineate the conformational heterogeneity of five trisaccharides via a combination of experimental and co...
متن کاملComputer Simulations of High Resolution NMR Spectra
The evolution of a spin system during the application of an RF pulse is a central aspect of high resolution NMR spectroscopy. An appropriately applied field can lead to saturation or decoupling effects. When a field is used to maintain a spinlocked condition, both scalar and dipolar interactions come into play, leading to coherence transfers and nuclear Overhauser effects that form the basis of...
متن کاملCombining Field Data and Computer Simulations for Calibration and Prediction
We develop a statistical approach for characterizing uncertainty in predictions that are made with the aid of a computer simulation model. Typically, the computer simulation code models a physical system and requires a set of inputs—some known and specified, others unknown. A limited amount of field data from the true physical system is available to inform us about the unknown inputs and also t...
متن کاملComputer Simulations of Protein Folding
Computer simulation holds great promise to significantly complement experiment as a tool for biological and biophysical characterization. Simulations offer the promise of atomic spatial detail with femtosecond temporal resolution. However, the application of computational methodology has been greatly limited due to fundamental computational challenges: put simply, for much of what one would wan...
متن کاملComputer Simulations of Protein Folding
Title of dissertation: COMPUTER SIMULATIONS OF PROTEIN FOLDING Aram Davtyan, Doctor of Philosophy, 2013 Dissertation directed by: Professor Garegin A. Papoian Department of Chemistry and Institute for Physical Science and Technology Understanding how proteins fold and interact with each other is key to understanding virtually all biological processes. Recent advances in computer power and model...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2014
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2013.11.3808