Evaluating the stability of pharmacophore features using molecular dynamics simulations
Author:
Publisher
Elsevier BV
Subject
Cell Biology,Molecular Biology,Biochemistry,Biophysics
Reference25 articles.
1. Glossary of terms used in medicinal chemistry;Ganellin;Pure Appl. Chem.,1998
2. From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling;Sanders;Med. Chem. Commun.,2012
3. Novel method for generating structure-based pharmacophores using energetic analysis;Salam;J. Chem. Inf. Model.,2009
4. GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition;Ortuso;Bioinformatics,2006
5. LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters;Wolber;J. Chem. Inf. Model.,2005
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