"Hot Spot" Analysis of Protein-Binding Sites as a Prerequisite For Structure-Based Virtual Screening and Lead Optimization

Pharmacophores and Pharmacophore Searches

Volumn , Issue , 2006, Pages 171-192

  Brenk, Ruth ^a   Klebe, Gerhard ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Calculating "hot spots"; Lead optimization; Pharmacophore approaches; Pharmacophores; Prerequisite for structure based virtual screening; Protein binding sites; Real life examples; Replacement of active site water molecules

Indexed keywords

MOLECULES; PHARMACODYNAMICS; PROTEINS;

HOT SPOT; LEAD OPTIMIZATION; PHARMACOPHORES; PROTEIN-BINDING SITES; REAL-LIFE EXAMPLES; VIRTUAL SCREENING; WATER MOLECULE;

BINDING SITES;

EID: 84952944528     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/3527609164.ch8     Document Type: Chapter

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