Conformational flexibility of the ErbB2 ectodomain and trastuzumab antibody complex as revealed by molecular dynamics and principal component analysis

Journal of Molecular Modeling

Volumn 19, Issue 3, 2013, Pages 1227-1236

  Franco Gonzalez, Juan Felipe ^a   Cruz, Victor L ^a   Ramos, Javier ^a   Martínez Salazar, Javier ^a  

^a CSIC   (Spain)

Author keywords

Extracellular ErbB2 receptor; Herceptin; Molecular dynamics; Principal component analysis; Trastuzumab

Indexed keywords

EPIDERMAL GROWTH FACTOR RECEPTOR 2; TRASTUZUMAB;

ARTICLE; COMPLEX FORMATION; CRYSTAL STRUCTURE; DRUG PROTEIN BINDING; MOLECULAR DYNAMICS; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN STRUCTURE;

ANTIBODIES, MONOCLONAL, HUMANIZED; ANTINEOPLASTIC AGENTS; BINDING SITES; BREAST NEOPLASMS; FEMALE; HUMANS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PRINCIPAL COMPONENT ANALYSIS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; RECEPTOR, ERBB-2;

EID: 84877152487     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1661-3     Document Type: Article

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