Toward a unified framework for determining conformational ensembles of disordered proteins - PubMed
12 hours ago
- #disordered proteins
- #structural biology
- #computational biology
- Proposes a unified framework for determining conformational ensembles of disordered proteins.
- Highlights the challenge of characterizing disordered proteins due to their dynamic and heterogeneous nature.
- Integrates experimental techniques with computational methods like knowledge-based sampling, molecular dynamics, and machine learning.
- Framework includes experimental data acquisition, computational ensemble generation, and validation.
- Addresses challenges such as force-field accuracy, efficient sampling, and environmental dependence.
- Advocates for collaborative benchmarking and standardized protocols.