Concepedia

Identification of irreversible protein splicing inhibitors as potential anti-TB drugs: insight from hybrid non-covalent/covalent docking virtual screening and molecular dynamics simulations

Lauren Blake, Mahmoud E. S. Soliman

Medicinal Chemistry Research · 2013 · 19 citations · 20 references

DOI

Concepts

References

20

UCSF Chimera—A visualization system for exploratory research and analysis

Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang et al. · Journal of Computational Chemistry · 2004 · 47.8K citations

, , +17

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

The Amber biomolecular simulation programs

David A. Case, Thomas E. Cheatham, Tom Darden et al. · Journal of Computational Chemistry · 2005 · 9.6K citations · Full text

, , +17

MolDock:  A New Technique for High-Accuracy Molecular Docking

René Thomsen, Mikael H. Christensen · Journal of Medicinal Chemistry · 2006 · 2.3K citations

, , +16

A small-molecule nitroimidazopyran drug candidate for the treatment of tuberculosis

C. Kendall Stover, Paul Warrener, Donald R. VanDevanter et al. · Nature · 2000 · 1K citations

, , +7