Definition of Systematic, Approximately Separable, and Modular Internal Coordinates (SASMIC) for macromolecular simulation

Journal of Computational Chemistry

Volumn 27, Issue 10, 2006, Pages 1076-1087

  Echenique, Pablo ^a   Alonso, J L ^a  

^a UNIVERSITY OF ZARAGOZA   (Spain)

Author keywords

Macromolecular simulation; SASMIC

Indexed keywords

DIHEDRAL ANGLES; MACROMOLECULAR SIMULATION; POTENTIAL ENERGY SURFACE (PES); SASMIC;

APPROXIMATION THEORY; CONSTRAINT THEORY; FREE ENERGY; MATRIX ALGEBRA; POTENTIAL ENERGY; QUANTUM THEORY;

POLYPEPTIDES;

ALANINE; DIPEPTIDE; PEPTIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; THERMODYNAMICS;

ALANINE; COMPUTER SIMULATION; DIPEPTIDES; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PEPTIDES; THERMODYNAMICS;

EID: 33745623377     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20424     Document Type: Article

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