Molecular dynamics simulations of a new branched antimicrobial peptide: A comparison of force fields

Journal of Chemical Physics

Volumn 137, Issue 21, 2012, Pages

  Li, Jianguo ^a,b   Lakshminarayanan, Rajamani ^a   Bai, Yang ^a,c   Liu, Shouping ^a,c   Zhou, Lei ^a   Pervushin, Konstantin ^c   Verma, Chandra ^a,b,c,d   Beuerman, Roger W ^a,b,d  

^a SINGAPORE EYE RESEARCH INSTITUTE   (Singapore)

^b BIOINFORMATICS INSTITUTE   (Singapore)

^c NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^d NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACID PEPTIDES; ANTIMICROBIAL PEPTIDE; BIOMOLECULAR SYSTEM; DIFFERENT STRUCTURE; ENERGY COST; FORCE FIELDS; HEAD GROUPS; HIGH ACTIVITY; HYDROPHOBIC REGIONS; LOW TOXICITY; MD SIMULATION; MECHANISM OF ACTION; MOLECULAR DYNAMICS SIMULATIONS; REPLICA EXCHANGE SIMULATION; SIDE-CHAINS;

AMINO ACIDS; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLYPEPTIDES; STRUCTURAL DYNAMICS;

MOLECULAR DYNAMICS;

ANTIMICROBIAL CATIONIC PEPTIDE; LIPID; WATER;

AMINO ACID SEQUENCE; ARTICLE; CELL MEMBRANE; CHEMISTRY; COMPARATIVE STUDY; MICELLE; MOLECULAR DYNAMICS; MOLECULAR GENETICS; PROTEIN CONFORMATION;

AMINO ACID SEQUENCE; ANTIMICROBIAL CATIONIC PEPTIDES; CELL MEMBRANE; LIPIDS; MICELLES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; WATER;

EID: 84870910821     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4768899     Document Type: Article

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