Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock-Reference-Cited by-同舟云学术

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Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock

Published:2001-11-15 Issue:1 Volume:46 Page:34-40
ISSN:0887-3585
Container-title:Proteins: Structure, Function, and Bioinformatics
language:en
Short-container-title:Proteins

Author:

Österberg Fredrik,Morris Garrett M.,Sanner Michel F.,Olson Arthur J.,Goodsell David S.

Funder

National Institutes of Health

Publisher

Wiley

Subject

Molecular Biology,Biochemistry,Structural Biology

Reference19 articles.

1. Flexible docking and design;Rosenfeld;Annu Rev Biophys Biomol Struct,1995

2. Structure-based molecular design;Kuntz;Acc Chem Res,1994

3. Side-chain flexibility in proteins upon ligand binding;Najmanovich;Proteins,2000

4. The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidase;Murray;J Comp-Aided Mol Design,1999

5. Docking small ligands in flexible binding sites;Apostolakis;J Comp Chem,1998

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