Accurate Estimation of pKb Values for Amino Groups from Surface Electrostatic Potential (VS, min) Calculations: The Isoelectric Points of Amino Acids as a Case Study.
Jacinto Sandoval-LiraGustavo Mondragón-SolórzanoLeonardo I. Lugo-FuentesJoaquín Barroso-FloresPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- accurate estimation
- amino acids
- protein sequences
- high curvature
- surface points
- secondary structure
- surface fitting
- normal vectors
- point sets
- protein structure
- protein structure prediction
- surface reconstruction
- protein folding
- sequence alignment
- amino acid sequences
- highly correlated
- boundary points
- cluster analysis