Assessment of density functionals with long-range and/or empirical dispersion corrections for conformational energy calculations of peptides.
Young Kee KangByung Jin ByunPublished in: J. Comput. Chem. (2010)
Keyphrases
- long range
- low energy
- short range
- hiv protease
- long range correlations
- energy consumption
- coarse grained
- conditional random fields
- fine grained
- higher order
- protein folding
- fractional brownian motion
- mass spectrometry data
- long range interactions
- machine learning
- tandem mass spectra
- electron microscopy
- mass spectrometry
- rigid and non rigid
- ms ms
- amino acids
- semi supervised