Energy barriers of proton transfer reactions between amino acid side chain analogs and water from ab initio calculations.
Elena HerzogTomaso FrigatoVolkhard HelmsC. Roy D. LancasterPublished in: J. Comput. Chem. (2006)
Keyphrases
- amino acids
- protein structure prediction
- protein folding
- protein sequences
- chemical reactions
- secondary structure
- protein structure
- energy consumption
- protein function
- carbon dioxide
- physico chemical
- amino acid sequences
- sequence alignment
- computational biology
- monte carlo simulation
- contact maps
- experimentally determined