Small-molecule G-quadruplex interactions: Systematic exploration of conformational space using multiple molecular dynamics

Biopolymers

Volumn 99, Issue 12, 2013, Pages 989-1005

  Husby, Jarmila ^a   Todd, Alan K ^a   Platts, James A ^b   Neidle, Stephen ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b CARDIFF UNIVERSITY   (United Kingdom)

Author keywords

dna; drug; quadruplex

Indexed keywords

CONFORMATIONAL FLEXIBILITY; CONFORMATIONAL SPACE; DRUG; EUKARYOTIC CHROMOSOMES; HIGH-THROUGHPUT DOCKING; QUADRUPLEX; STRUCTURE-BASED DESIGNS; SYSTEMATIC EXPLORATION;

CHROMOSOMES; DNA; DNA SEQUENCES; MOLECULAR DYNAMICS; MOLECULES; NUCLEIC ACIDS; POSITIVE IONS; SCAFFOLDS;

CONFORMATIONS;

GUANINE QUADRUPLEX; PYRIDOSTATIN; RHPS 4; SMALL MOLECULE TRANSPORT AGENT; UNCLASSIFIED DRUG; DNA;

ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG CONFORMATION; HIGH THROUGHPUT SCREENING; HUMAN; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULE; PROTEIN BINDING; PROTEIN STABILITY; TELOMERE; CHEMISTRY;

DNA; G-QUADRUPLEXES; MOLECULAR DYNAMICS SIMULATION; TELOMERE;

EID: 84884921116     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.22340     Document Type: Article

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