Integrative, dynamic structural biology at atomic resolution--it's about time.
Henry van den BedemBrian K ShoichetPublished in: Nature methods (2015)
Biomolecules adopt a dynamic ensemble of conformations, each with the potential to interact with binding partners or perform the chemical reactions required for a multitude of cellular functions. Recent advances in X-ray crystallography, nuclear magnetic resonance (NMR) spectroscopy and other techniques are helping us realize the dream of seeing--in atomic detail--how different parts of biomolecules shift between functional substates using concerted motions. Integrative structural biology has advanced our understanding of the formation of large macromolecular complexes and how their components interact in assemblies by leveraging data from many low-resolution methods. Here, we review the growing opportunities for integrative, dynamic structural biology at the atomic scale, contending there is increasing synergistic potential between X-ray crystallography, NMR and computer simulations to reveal a structural basis for protein conformational dynamics at high resolution.
Keyphrases
- high resolution
- magnetic resonance
- structural basis
- electron microscopy
- single molecule
- molecular dynamics
- network analysis
- mass spectrometry
- binding protein
- dual energy
- electronic health record
- deep learning
- human health
- genome wide
- machine learning
- molecular dynamics simulations
- tandem mass spectrometry
- high speed
- hiv infected
- gene expression
- dna methylation
- big data
- small molecule
- convolutional neural network
- climate change
- magnetic resonance imaging
- drug delivery
- transcription factor