The electronic-structure theory of a large-molecular system in solution: Application to the intercalation of proflavine with solvated DNA

Journal of Molecular Liquids

Volumn 159, Issue 1, 2011, Pages 83-92

  Yoshida, Norio ^a,b   Kiyota, Yasuomi ^b   Hirata, Fumio ^a,b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

Author keywords

3D RISM; DFT; DNA; QM MM; RISM

Indexed keywords

3D-RISM; BASE SEQUENCES; DFT; DNA CHAINS; ELECTRONIC STRUCTURE THEORY; ELECTROSTATIC INTERACTIONS; HYDROPHOBIC INTERACTIONS; MOLECULAR MECHANICALS; MOLECULAR SYSTEMS; NEW APPROACHES; POSITIVE CHANGES; QM/MM; QM/MM METHOD; REFERENCE INTERACTION SITE MODEL THEORIES; RISM; SOLUTE REGION; SOLVATION FREE ENERGIES; SOLVATION STRUCTURE; SOLVENT EFFECTS;

ELECTRONIC STRUCTURE; HYDROPHOBICITY; NUCLEIC ACIDS; SOLVATION; SOLVENTS; THREE DIMENSIONAL;

DNA;

EID: 79952009095     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2010.04.019     Document Type: Conference Paper

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