The 'order-to-disorder' conformational transition in CD44 protein: An umbrella sampling analysis

Journal of Molecular Graphics and Modelling

Volumn 45, Issue , 2013, Pages 122-127

  Plazinski, Wojciech ^a   Knys Dzieciuch, Agnieszka ^b  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b MARIA CURIE SK ODOWSKA UNIVERSITY   (Poland)

Author keywords

CD44; Conformational transition; Free energy profiles; Glycoproteins; Steered molecular dynamics; Umbrella sampling

Indexed keywords

CD44; CONFORMATIONAL TRANSITIONS; ENERGY PROFILE; STEERED MOLECULAR DYNAMICS; UMBRELLA SAMPLING;

AMINO ACIDS; CELL MEMBRANES; FREE ENERGY; GLYCOPROTEINS; MOLECULAR DYNAMICS;

CONFORMATIONS;

AMINO ACID; CD44 PROTEIN; MEMBRANE PROTEIN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; MOLECULAR DYNAMICS; MOLECULAR MODEL; MUTANT; PRIORITY JOURNAL; SIMULATION; WILD TYPE;

CD44; CONFORMATIONAL TRANSITION; FREE ENERGY PROFILES; GLYCOPROTEINS; STEERED MOLECULAR DYNAMICS; UMBRELLA SAMPLING;

ANTIGENS, CD44; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION;

EID: 84883459399     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.08.002     Document Type: Article

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