Pragmatic virtual fragment-based ligand design / Marcus Gastreich.

• Contents: Computational chemistry for fragment replacement, fragment evolution/growing/merging & linking -- Bioisostere replacement -- Software assistance for SAR optimisation for medicinal chemists -- Lead optimisation software.

Ämnesord

Cheminformatics.  (LCSH)

Ligands (Biochemistry).  (LCSH)

Combinatorial Chemistry Techniques.  (MeSH)

Computer-Aided Design.  (MeSH)

Informatics.  (MeSH)

Ligands.  (MeSH)