Dissociation of minor groove binders from DNA: Insights from metadynamics simulations

Nucleic Acids Research

Volumn 36, Issue 18, 2008, Pages 5910-5921

  Vargiu, Attilio Vittorio ^a   Ruggerone, Paolo ^a   Magistrato, Alessandra ^b   Carloni, Paolo ^b  

^a UNIVERSITY OF CAGLIARI   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

4 [5 (4 METHYL 1 PIPERAZINYL)[2,5' BI 1H BENZIMIDAZOL] 2' YL]PHENOL; AMIDINE; ANTHRAMYCIN; DISTAMYCIN A;

AMINO ACID SEQUENCE; ARTICLE; BINDING KINETICS; CONTROLLED STUDY; COVALENT BOND; DISSOCIATION; DRUG CONFORMATION; DRUG STRUCTURE; ENERGY COST; MATHEMATICAL ANALYSIS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR SIZE; PRIORITY JOURNAL; SEQUENCE ANALYSIS;

ALKYLATING AGENTS; ANTHRAMYCIN; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DISTAMYCINS; DNA; MODELS, MOLECULAR; NUCLEIC ACID CONFORMATION;

EID: 54549100470     PISSN: 03051048     EISSN: 13624962     Source Type: Journal    
DOI: 10.1093/nar/gkn561     Document Type: Article

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