Large-scale molecular dynamics simulation: Effect of polarization on thrombin-ligand binding energy

Scientific Reports

Volumn 6, Issue , 2016, Pages

  Duan, Li L ^a   Feng, Guo Q ^a   Zhang, Qing G ^a  

^a SHANDONG NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PROTEIN BINDING; THROMBIN; WATER;

BINDING SITE; BIOPHYSICS; CHEMISTRY; COMPUTER SIMULATION; HUMAN; HYDROGEN BOND; METABOLISM; MOLECULAR DYNAMICS; MOLECULAR MODEL; QUANTUM THEORY; STATIC ELECTRICITY;

BINDING SITES; BIOPHYSICAL PHENOMENA; COMPUTER SIMULATION; HUMANS; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; QUANTUM THEORY; STATIC ELECTRICITY; THROMBIN; WATER;

EID: 84981724936     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep31488     Document Type: Article

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