Energies and physicochemical properties of cation-π interactions in biological structures

Journal of Molecular Graphics and Modelling

Volumn 34, Issue , 2012, Pages 38-45

  Du, Qi Shi ^a,b,c   Meng, Jian Zong ^b   Liao, Si Ming ^a,b   Huang, Ri Bo ^a,b  

^a NATIONAL ENGINEERING RESEARCH CENTER FOR NON FOOD BIOREFINERY   (China)

^b GUANGXI UNIVERSITY   (China)

^c GORDON LIFE SCIENCE INSTITUTE   (United States)

Author keywords

Cation interaction; Molecular modeling; Protein structures; Quantum chemistry; Structural biology

Indexed keywords

AMINO ACIDS; AROMATIC COMPOUNDS; HYDROGEN BONDS; LITHIUM; MOLECULAR DYNAMICS; MOLECULAR MODELING; MOLECULAR ORBITALS; PROTEINS; QUANTUM CHEMISTRY;

ALKALI METAL CATIONS; AROMATIC MOLECULES; ATOMIC MASS; ATOMIC ORBITAL; BINDING STRENGTH; BIOLOGICAL STRUCTURES; COORDINATE BONDS; FORCE FIELD PARAMETERS; INTERACTION ENERGIES; METALLIC CATIONS; MOLECULAR ORBITAL THEORY; NATURAL AMINO ACIDS; ORIENTATION ANGLES; PHYSICOCHEMICAL PROPERTY; PROTEIN STRUCTURES; QUANTUM CHEMICAL CALCULATIONS; STRUCTURAL BIOLOGY;

POSITIVE IONS;

ALKALI METAL; BENZENE; CATION; HYDROGEN; LITHIUM; SOLVENT;

ANATOMICAL CONCEPTS; ARTICLE; DIELECTRIC CONSTANT; ENERGY; HYDROGEN BOND; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTUM CHEMISTRY; SOLVATION; STATIC ELECTRICITY;

EID: 84962384864     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.12.002     Document Type: Article

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