A computational fragment-based de novo design protocol guided by ligand efficiency indices (LEI)

Methods in Molecular Biology

Volumn 1289, Issue , 2015, Pages 89-100

  Cortés Cabrera, Álvaro ^a   Gago, Federico ^a   Morreale, Antonio ^a  

^a NONE

Author keywords

Docking; Fragment based drug design; Ligand efficiency indices; Scoring functions

Indexed keywords

PROTEIN KINASE B INHIBITOR; LIGAND; MOLECULAR LIBRARY; PROTEIN; PROTEIN BINDING; PROTEIN KINASE B;

ALGORITHM; ARTICLE; ASSESSMENT OF HUMANS; BINDING EFFICIENCY INDEX; BINDING SITE; CALCULATION; CELL DIFFERENTIATION; CELL GROWTH; CHEMICAL STRUCTURE; COMPUTER INTERFACE; LIGAND EFFICIENCY INDICE; PRIORITY JOURNAL; SCORING SYSTEM; SIGNAL TRANSDUCTION; SOLUTION AND SOLUBILITY; SURFACE EFFICIENCY INDEX; SYNTHESIS; VALIDATION STUDY; ANTAGONISTS AND INHIBITORS; CHEMISTRY; COMPUTER PROGRAM; DRUG DESIGN; GENETICS; METABOLISM; MOLECULAR LIBRARY;

BINDING SITES; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEINS; PROTO-ONCOGENE PROTEINS C-AKT; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 84924117418     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-4939-2486-8_8     Document Type: Article

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