A pharmacophore docking algorithm and its application to the cross-docking of 18 HIV-NNRTI's in their binding pockets

The docking of small molecules into the binding site of a target protein is an important but difficult step in structure‐based drug design. The performance of a docking algorithm is usually evaluated by re‐docking ligands into their native binding sites. We have explored the cross‐docking of 18 HIV‐...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Proteins, structure, function, and bioinformatics structure, function, and bioinformatics, 2004-02, Vol.54 (3), p.526-533
Hauptverfasser:	Daeyaert, Frits, de Jonge, Marc, Heeres, Jan, Koymans, Luc, Lewi, Paul, Vinkers, Maarten H., Janssen, Paul A.J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Anti-HIV Agents - chemistry Anti-HIV Agents - metabolism Anti-HIV Agents - pharmacology Binding Sites Computer Simulation Crystallography, X-Ray Drug Design HIV - drug effects HIV - enzymology HIV Reverse Transcriptase - antagonists & inhibitors HIV Reverse Transcriptase - chemistry HIV Reverse Transcriptase - metabolism Hydrogen Bonding Ligands Models, Molecular Reverse Transcriptase Inhibitors - chemistry Reverse Transcriptase Inhibitors - metabolism Reverse Transcriptase Inhibitors - pharmacology Thermodynamics Time Factors
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!