A theoretical study of potassium cation binding to glycylglycine (GG) and alanylalanine (AA) dipeptides

Chemistry - A European Journal

Volumn 8, Issue 21, 2002, Pages 4909-4918

  Wong, Carrie Hoi Shan ^a   Ma, Ngai Ling ^b   Tsang, Chun Wai ^a  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

Cations; Density functional calculations; Peptides; Potassium; Zwitterions

Indexed keywords

AMINO ACIDS; MONTE CARLO METHODS; POLYPEPTIDES; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

BINDING AFFINITIES;

POTASSIUM;

ALANYLALANINE; ALIPHATIC AMINE; AMIDE; AMINO ACID; AMPHOLYTE; CARBONYL DERIVATIVE; CATION; DIPEPTIDE; GLYCYLGLYCINE; OXYGEN; POTASSIUM ION; UNCLASSIFIED DRUG; ALANINE; GLYCINE; POTASSIUM;

ARTICLE; BINDING AFFINITY; CALCULATION; CHEMICAL BINDING; CONFORMATION; DIPOLE; ELECTRICITY; ENERGY TRANSFER; GEOMETRY; MOLECULAR INTERACTION; MOLECULAR STABILITY; MONTE CARLO METHOD; PROTON TRANSPORT; SOLVATION; SURFACE CHARGE; THEORY; CHEMISTRY; DRUG EFFECT; PROTEIN CONFORMATION; THERMODYNAMICS;

ALANINE; DIPEPTIDES; ELECTROSTATICS; GLYCINE; MONTE CARLO METHOD; POTASSIUM; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 2242466607     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20021104)8:21<4909::AID-CHEM4909>3.0.CO;2-L     Document Type: Article

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