Rapid communication fast determination of the optimal rotational matrix for macromolecular superpositions

Journal of Computational Chemistry

Volumn 31, Issue 7, 2010, Pages 1561-1563

  Liu, Pu ^a   Agrafiotis, Dimitris K ^a   Theobald, Douglas L ^b  

^a JOHNSON AND JOHNSON PHARMACEUTICAL RESEARCH AND DEVELOPMENT   (United States)

^b BRANDEIS UNIVERSITY   (United States)

Author keywords

Adjoint matrix; Conformational sampling; Fragment assembly; Protein structure alignment; Quaternion; RMSD; Root mean squared deviation; Rotational matrix; Superposition

Indexed keywords

ADJOINT MATRIX; CONFORMATIONAL SAMPLING; PROTEIN STRUCTURE ALIGNMENT; ROOT MEAN SQUARED DEVIATIONS; ROTATIONAL MATRICES;

BIOINFORMATICS; CRYSTALLOGRAPHY; PROTEINS;

ALIGNMENT;

PROTEIN;

ALGORITHM; ARTICLE; BIOLOGY; CHEMISTRY; CRYSTALLOGRAPHY; HIGH THROUGHPUT SCREENING; METHODOLOGY; PROTEIN CONFORMATION; ROTATION; TIME;

ALGORITHMS; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY; HIGH-THROUGHPUT SCREENING ASSAYS; PROTEIN CONFORMATION; PROTEINS; ROTATION; TIME FACTORS;

EID: 77950876974     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21439     Document Type: Article

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