Virtual screening with AutoDock: theory and practice

Docking and chemoinformatic screens for new ligands and targets

(2009) Peter Kolb et al.   CURRENT OPINION IN BIOTECHNOLOGY

Docking Screens: Right for the Right Reasons?

(2009) Peter Kolb et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein−Ligand Docking Results

(2009) Tim ten Brink et al.   Journal of Chemical Information and Modeling

The Effect of Ligand-Based Tautomer and Protomer Prediction on Structure-Based Virtual Screening

(2009) Tuomo Kalliokoski et al.   Journal of Chemical Information and Modeling

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

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

Pursuing Aldose Reductase Inhibitors through in Situ Cross-Docking and Similarity-Based Virtual Screening

(2009) Sandro Cosconati et al.   JOURNAL OF MEDICINAL CHEMISTRY

Tandem Application of Virtual Screening and NMR Experiments in the Discovery of Brand New DNA Quadruplex Groove Binders

(2009) Sandro Cosconati et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2009) H. Jiang et al.   MOLECULAR PHARMACOLOGY

Drug-Binding Databases

(2008) Luis Fernando Macedo Timmers et al.   CURRENT DRUG TARGETS

Empirical entropic contributions in computational docking: Evaluation in APS reductase complexes

(2008) Max W. Chang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

An improved relaxed complex scheme for receptor flexibility in computer-aided drug design

(2008) Rommie E. Amaro et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

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

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

HMDB: a knowledgebase for the human metabolome

(2008) D. S. Wishart et al.   NUCLEIC ACIDS RESEARCH

Discovery of drug-like inhibitors of an essential RNA-editing ligase in Trypanosoma brucei

(2008) R. E. Amaro et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA