Structural and functional insights on folate receptor a (FRa) by homology modeling, ligand docking and molecular dynamics

Journal of Molecular Graphics and Modelling

Volumn 44, Issue , 2013, Pages 197-207

  Della Longa, Stefano ^a   Arcovito, Alessandro ^b  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b CATHOLIC UNIVERSITY   (Italy)

Author keywords

Bioinformatics; Folate targeted cancer therapies; Protein docking

Indexed keywords

BINDING ENERGY; BINDING SITES; BINS; BIOINFORMATICS; CELL MEMBRANES; CHEMOTHERAPY; COVALENT BONDS; DISEASES; LIGANDS; MOLECULAR DYNAMICS; MOLECULES; ONCOLOGY; ORGANIC ACIDS; PROTEINS; SITE SELECTION; TARGETED DRUG DELIVERY; X RAY DIFFRACTION;

GLYCOPHOSPHATIDYLINOSITOL; MOLECULAR DYNAMICS TRAJECTORIES; N-LINKED GLYCOSYLATION; PROTEIN DOCKING; RIBOFLAVIN BINDING PROTEIN; STRUCTURAL DETERMINANTS; TARGETED CANCER THERAPY; THREE-DIMENSIONAL MODEL;

CRYSTAL STRUCTURE;

FOLATE RECEPTOR 1; FOLIC ACID; LIGAND; LOMETREXOL; PEMETREXED; PLEVITREXED; RALTITREXED; RIBOFLAVIN BINDING PROTEIN; VINTAFOLIDE;

ARTICLE; BINDING AFFINITY; BINDING SITE; CANCER THERAPY; COMPARATIVE STUDY; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; CRYSTAL STRUCTURE; GLYCOSYLATION; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MONTE CARLO METHOD; NUCLEOTIDE SEQUENCE; POINT MUTATION; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; PROTEIN STRUCTURE; SEQUENCE ALIGNMENT; STEREOCHEMISTRY;

BIOINFORMATICS; FOLATE-TARGETED CANCER THERAPIES; PROTEIN DOCKING;

AMINO ACID SEQUENCE; FOLATE RECEPTOR 1; FOLIC ACID; HUMANS; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SEQUENCE ALIGNMENT;

EID: 84885145564     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.05.012     Document Type: Article

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