DFT conformation and energies of amylose fragments at atomic resolution. Part 1: syn forms of α-maltotetraose

Carbohydrate Research

Volumn 344, Issue 3, 2009, Pages 362-373

  Schnupf, Udo ^a   Willett, J L ^a   Bosma, Wayne ^b   Momany, Frank A ^a  

^a NATIONAL CENTER FOR AGRICULTURAL UTILIZATION RESEARCH   (United States)

^b BRADLEY UNIVERSITY   (United States)

Author keywords

B3LYP 6 311++G**; COSMO; DFT; DP 4 amylose; V helix

Indexed keywords

ATOMIC RESOLUTIONS; BRIDGE CONFORMATIONS; COMPACT STRUCTURES; CONFORMATIONAL PREFERENCES; COSMO; DFT; DP-4 AMYLOSE; ENERGY DIFFERENCES; FLEXIBLE MOLECULES; HYDROXYL GROUPS; HYDROXYMETHYL ROTAMERS; LOW ENERGIES; LOWER ENERGIES; MALTOTETRAOSE; OPTIMIZATION STUDIES; POLYMER FORMATIONS; SOLVATED MOLECULES; SOLVENT DEPENDENCES; SOURCES OF ENERGIES; V-HELIX;

DYNAMIC POSITIONING; METHANOL; PERCOLATION (SOLID STATE); PROBABILITY DENSITY FUNCTION; PROGRAMMING THEORY;

CONFORMATIONS;

AMYLOSE;

ARTICLE; CARBOHYDRATE ANALYSIS; CONFORMATION; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; PRIORITY JOURNAL; SOLVATION;

AMYLOSE; ANTI-BACTERIAL AGENTS; MALTOSE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 59849112523     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2008.11.017     Document Type: Article

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