Počet záznamů: 1
Calculation of clusters of hydrated amino-acid conformers
- 1.0451604 - BTÚ 2016 RIV CZ eng L4 - Software
Biedermannová, Lada
Calculation of clusters of hydrated amino-acid conformers.
Interní kód: cluster.sh ; 2014
Technické parametry: BASH script, licence GPL 3
Ekonomické parametry: typový projekt
Grant CEP: GA ČR(CZ) GPP205/12/P729; GA MŠMT(CZ) ED1.1.00/02.0109
Výzkumný záměr: CEZ:AV0Z50520701
Institucionální podpora: RVO:86652036
Klíčová slova: protein hydration * structural biology * X-ray crystallography, data mining * conformational clustering
Kód oboru RIV: BO - Biofyzika
http://www.dnatco.org/atlas/cluster/
Program downoads specified set of structures from the Protein Data Bank (PDB), performs structure quality check, adds neighboring crystallographic cells, extracts water molecules in the vicinity of the selected protein chain, analyzes protein-water contacts, water-amino-acid-residue distance distributions and residue SASA distributions, and classifies and clusters residue conformations based on secondary structure and rotameric state.
Trvalý link: http://hdl.handle.net/11104/0252788
Počet záznamů: 1