Are Protein Conformational Ensembles in Agreement with Experimental Data? A Geometrical Interpretation of the Problem.
Letizia FiorucciMarco SchiavinaIsabella C. FelliRoberta PierattelliEnrico RaveraPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- experimental data
- geometrical interpretation
- protein folding
- experimentally determined
- covariance matrix
- protein structure prediction
- protein structure
- amino acids
- secondary structure
- dynamic model
- protein sequences
- hiv protease
- mathematical models
- coarse grained
- protein function
- decision trees
- ensemble methods
- protein protein interactions
- sequence analysis