ALFA: Automatic ligand flexibility assignment

Journal of Chemical Information and Modeling

Volumn 54, Issue 1, 2014, Pages 314-323

  Klett, Javier ^a   Cortés Cabrera, Álvaro ^a,b   Gil Redondo, Rubén ^a,c   Gago, Federico ^b   Morreale, Antonio ^a,d  

^a CENTRO DE BIOLOGÍA MOLECULAR SEVERO OCHOA   (Spain)

^b UNIVERSITY OF ALCALÁ   (Spain)

^c UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^d REPSOL YPF   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPLICATION PROGRAMS; GRAPHICAL USER INTERFACES; ITERATIVE METHODS; MOLECULAR GRAPHICS; MOLECULES;

COMPUTATIONAL TOOLS; CONFORMATIONAL ANALYSIS; FREE OF CHARGE; HIGH THROUGHPUT; ITERATIVE ALGORITHM; SMALL MOLECULES; VIRTUAL SCREENING; X-RAY STRUCTURE;

LIGANDS;

LIGAND;

ALGORITHM; BIOLOGY; COMPUTER GRAPHICS; COMPUTER INTERFACE; COMPUTER PROGRAM; CONFORMATION; HIGH THROUGHPUT SCREENING; STATIC ELECTRICITY; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER GRAPHICS; CRYSTALLOGRAPHY, X-RAY; HIGH-THROUGHPUT SCREENING ASSAYS; LIGANDS; MOLECULAR CONFORMATION; SOFTWARE; STATIC ELECTRICITY; USER-COMPUTER INTERFACE;

EID: 84893393300     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400453n     Document Type: Article

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