Quantum mechanical studies on model α-pleated sheets

Journal of Computational Chemistry

Volumn 31, Issue 6, 2010, Pages 1216-1223

  Hao, W U ^a,b   Alana, Canfield ^a,b   Jhashanath, Adhikari ^a,b   Shuanghong, Huo ^a,b  

^a CLARK UNIVERSITY   (United States)

^b UNIVERSITY OF MICHIGAN   (United States)

Author keywords

; ; sheet; Amyloidogenic protein; Density functional theory; Energy; Self consistent reaction field method; Sheet; Tree energy

Indexed keywords

AMIDE I; COMMON FEATURES; DENSITY FUNCTIONALS; FORCE FIELDS; GEOMETRY OPTIMIZATION; HIGHER FREQUENCIES; INTERNAL ENERGIES; IR SPECTRUM; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN DENSITY; PROTEIN SECONDARY STRUCTURE; QUANTUM MECHANICS; QUANTUM-MECHANICAL STUDY; SELF-CONSISTENT REACTION FIELDS; SINGLE-POINT ENERGY; SOLUTION PHASE; ZERO-POINT ENERGIES;

AMIDES; CONFORMATIONS; GEOMETRY; MOLECULAR DYNAMICS; PROTEINS; QUANTUM THEORY; REACTION KINETICS;

DENSITY FUNCTIONAL THEORY;

AMYLOID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; MOLECULAR DYNAMICS; PROTEIN SECONDARY STRUCTURE; QUANTUM THEORY; THERMODYNAMICS;

AMYLOID; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN STRUCTURE, SECONDARY; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS;

EID: 77950589676     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21408     Document Type: Article

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