Computational protein–ligand docking and virtual drug screening with the AutoDock suite

A Virtual Screen Discovers Novel, Fragment-Sized Inhibitors of Mycobacterium tuberculosis InhA

(2015) Alexander L. Perryman et al.   Journal of Chemical Information and Modeling

Covalent docking using autodock: Two-point attractor and flexible side chain methods

(2015) Giulia Bianco et al.   PROTEIN SCIENCE

Protein-Ligand Docking in the New Millennium – A Retrospective of 10 Years in the Field

(2013) S.F. Sousa et al.   CURRENT MEDICINAL CHEMISTRY

Protein Flexibility in Virtual Screening: The BACE-1 Case Study

(2012) Sandro Cosconati et al.   Journal of Chemical Information and Modeling

Redox-Based Probes for Protein Tyrosine Phosphatases

(2011) Stephen E. Leonard et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Force Field with Discrete Displaceable Waters and Desolvation Entropy for Hydrated Ligand Docking

(2011) Stefano Forli et al.   JOURNAL OF MEDICINAL CHEMISTRY

Fragment-Based Screen against HIV Protease

(2010) Alexander L. Perryman et al.   Chemical Biology & Drug Design

Virtual screening with AutoDock: theory and practice

(2010) Sandro Cosconati et al.   Expert Opinion on Drug Discovery

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Stabilizers of the Max Homodimer Identified in Virtual Ligand Screening Inhibit Myc Function

(2009) H. Jiang et al.   MOLECULAR PHARMACOLOGY

Structure-Based Virtual Screening and Biological Evaluation ofMycobacterium tuberculosisAdenosine 5′-Phosphosulfate Reductase Inhibitors

(2008) Sandro Cosconati et al.   JOURNAL OF MEDICINAL CHEMISTRY