Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers

VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters

(2010) Nikita D. Prakhov et al.   BIOINFORMATICS

Discovery of Novel Fibroblast Growth Factor Receptor 1 Kinase Inhibitors by Structure-Based Virtual Screening

(2010) Krishna P. Ravindranathan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Identification of Novel Non-Hydroxamate Anthrax Toxin Lethal Factor Inhibitors by Topomeric Searching, Docking and Scoring, and in Vitro Screening

(2009) Ting-Lan Chiu et al.   Journal of Chemical Information and Modeling

Identification of Death-Associated Protein Kinases Inhibitors Using Structure-Based Virtual Screening

(2009) Masako Okamoto et al.   JOURNAL OF MEDICINAL CHEMISTRY

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

(2009) Lorenz C. Blum et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0

(2008) Xiaohui Jiang et al.   Chemistry Central Journal

Ensemble-Based Virtual Screening Reveals Potential Novel Antiviral Compounds for Avian Influenza Neuraminidase

(2008) Lily S. Cheng et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of New Inhibitors ofd-Alanine:d-Alanine Ligase by Structure-Based Virtual Screening†

(2008) Andreja Kovač et al.   JOURNAL OF MEDICINAL CHEMISTRY