Docking Ligands into Flexible and Solvated Macromolecules. 6. Development and Application to the Docking of HDACs and other Zinc Metalloenzymes Inhibitors

By J. Pottel, Eric Therrien, J. Gleason, N. Moitessier. 2014

73 citations recorded by the source corpus.

Subfields: Infectious Diseases, Molecular Biology, Oncology, Computational Chemistry & Drug Discovery

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Infectious Diseases

1. Stefano Forli
2. David S. Goodsell
3. Arthur J. Olson
4. Michel F. Sanner
5. Abdo A. Elfiky

In Molecular Biology

1. Stefano Forli
2. Michel F. Sanner
3. David S. Goodsell
4. Arthur J. Olson
5. Glaucius Oliva
6. L. Ferreira
7. Ricardo N Dos Santos
8. Sun Choi

In Computational Chemistry & Drug Discovery

1. Stefano Forli
2. Michel F. Sanner
3. David S. Goodsell
4. Arthur J. Olson
5. Sun Choi
6. Glaucius Oliva
7. Vijayakumar Gosu
8. Adriano Defini Andricopulo

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “the function using the equations of classical mechanics [57].”
• AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility (2015, methodology): “While these approaches have mostly focused on receptor side-chain motions, some of them also include limited backbone motion [15, 16, 23, 27].”
• Role of computer-aided drug design in modern drug discovery (2015, methodology): “Existing methods that incorporate partial protein flexibility include Glide, RosettaLigand (Davis and Baker 2009), FLIPDock (Zhao and Sanner 2007), and FITTED (Corbeil et al. 2007, 2008; Corbeil and Moitessier 2009; Englebienne and Moitessier 2009a, b; Pottel et al. 2014; Therrien et al. 2014).”