Molecular dynamics simulation studies of betulinic acid with human serum albumin

Journal of Molecular Modeling

Volumn 18, Issue 6, 2012, Pages 2589-2597

  Malleda, Chandramouli ^a   Ahalawat, Navjeet ^a   Gokara, Mahesh ^a   Subramanyam, Rajagopal ^a  

^a UNIVERSITY OF HYDERABAD   (India)

Author keywords

Betulinic acid; Docking; Human serum albumin; Molecular dynamics

Indexed keywords

ALANINE; ARGININE; BETULIC ACID; GLUTAMINE; GLYCINE; HUMAN SERUM ALBUMIN; HYDROXYL GROUP; LEUCINE; LYSINE; PHENYL GROUP;

AQUEOUS SOLUTION; ARTICLE; BINDING AFFINITY; CONFORMATIONAL TRANSITION; DRUG BINDING SITE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

AMINO ACID MOTIFS; BINDING SITES; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SERUM ALBUMIN; SOLVENTS; SURFACE PROPERTIES; TRITERPENES; WATER;

EID: 84864667733     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1287-x     Document Type: Article

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