Practices in molecular docking and structure-based virtual screening

Methods in Molecular Biology

Volumn 1762, Issue , 2018, Pages 31-50

  dos Santos, Ricardo N ^a   Ferreira, Leonardo G ^b   Andricopulo, Adriano D ^b  

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Autodock vina; Drug discovery; Molecular modeling; Structure based drug design; X ray crystallography

Indexed keywords

PHOSPHATIDYLINOSITOL 3 KINASE; PHOSPHATIDYLINOSITOL 3 KINASE DELTA; UNCLASSIFIED DRUG; LIGAND; PHOSPHATIDYLINOSITOL 4,5 BISPHOSPHATE 3 KINASE; PIK3CD PROTEIN, HUMAN;

ANALYTIC METHOD; DRUG SCREENING; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; MOLECULAR INTERACTION; MOLECULAR MODEL; X RAY CRYSTALLOGRAPHY; CHEMISTRY; DRUG DESIGN; DRUG DEVELOPMENT; HUMAN; METABOLISM; MOLECULAR LIBRARY; PHARMACOLOGY; PRECLINICAL STUDY; PROCEDURES; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

CLASS I PHOSPHATIDYLINOSITOL 3-KINASES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 85044826322     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-4939-7756-7_3     Document Type: Chapter

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