AMBER force-field parameters for phosphorylated amino acids in different protonation states: Phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine

Journal of Molecular Modeling

Volumn 12, Issue 3, 2006, Pages 281-289

  Homeyer, Nadine ^a   Horn, Anselm H C ^a   Lanig, Harald ^a   Sticht, Heinrich ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

AMBER; Force field; Parameters; Phosphorylated amino acids; Restrained electrostatic potential

Indexed keywords

AMINO ACID DERIVATIVE; PHOSPHOHISTIDINE; PHOSPHOSERINE; PHOSPHOTHREONINE; PHOSPHOTYROSINE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CONTROLLED STUDY; ELECTRICITY; GEOMETRY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN CONFORMATION; PROTEIN PHOSPHORYLATION; PROTEIN STRUCTURE; PROTON TRANSPORT; STRUCTURE ANALYSIS; VALIDATION PROCESS;

ACIDS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; HYDROGEN; MOLECULAR STRUCTURE; PHOSPHOAMINO ACIDS; PROTONS;

EID: 33644753023     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-005-0028-4     Document Type: Article

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