The impact of Trichoderma reesei Cel7A carbohydrate binding domain mutations on its binding to a cellulose surface: A molecular dynamics free energy study

Journal of Molecular Modeling

Volumn 18, Issue 4, 2012, Pages 1355-1364

  Li, Tong ^a   Yan, Shihai ^a   Yao, Lishan ^a  

^a QINGDAO INSTITUTE OF BIOENERGY AND BIOPROCESS TECHNOLOGY   (China)

Author keywords

Cellobiohydrolase; Cellulose; Free energy; Molecular dynamics; Thermodynamic integration

Indexed keywords

CARBOHYDRATE BINDING PROTEIN; CELLULOSE; N29 PROTEIN; Q34 PROTEIN; UNCLASSIFIED DRUG; Y31 PROTEIN; Y32 PROTEIN; Y5 PROTEIN;

ARTICLE; CHEMICAL INTERACTION; ENERGY; FREE ENERGY; FUNGAL STRAIN; HYPOCREA JECORINA; MOLECULAR DYNAMICS; MUTATION; NONHUMAN; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN INTERACTION; PROTEIN STRUCTURE; SIMULATION; STATIC ELECTRICITY; THERMODYNAMICS; VAN DER WAALS INTERACTION;

BINDING SITES; CATALYTIC DOMAIN; CELLULOSE; CELLULOSE 1,4-BETA-CELLOBIOSIDASE; FUNGAL PROTEINS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MUTATION; PROTEIN BINDING; THERMODYNAMICS; TRICHODERMA;

HYPOCREA JECORINA;

EID: 84861231333     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1167-4     Document Type: Article

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