Fast docking using the CHARMM force field with EADock DSS
By Aurélien Grosdidier, Vincent Zoete, Olivier Michielin. Journal of Computational Chemistry, 2011
462 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology
View Paper: https://www.semanticscholar.org/paper/fb71c9aae110503449c3e1444cd50834248f48c5
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Computational Theory and Mathematics
- Antoine Daina
- Vincent Zoete
- Olivier Michielin
- Elizabeth Yuriev
- Paul A. Ramsland
- Ute F. Röhrig
- Aurélien Grosdidier
- Marta A. S. Perez
In Materials Chemistry
- Antoine Daina
- Vincent Zoete
- Olivier Michielin
- Elizabeth Yuriev
- Paul A. Ramsland
- Aurélien Grosdidier
- Ute F. Röhrig
- Marta A. S. Perez
In Molecular Biology
- Antoine Daina
- Vincent Zoete
- Olivier Michielin
- Elizabeth Yuriev
- Paul A. Ramsland
- Aurélien Grosdidier
- Ute F. Röhrig
- Marta A. S. Perez
Citations in the corpus
- SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina (2024, methodology): “Many molecular docking algorithms exist, some well-known examples include our in-house algorithms EADock Dihedral Space Sampling (DSS) ( 5 ) and Attracting Cavities ( 6 ,7 ), or AutoDock and Autodock Vina ( 8–11 ).”
- Latest developments in molecular docking: 2010–2011 in review (2013, methodology): “improved treatment of input structures (including sampling).([8,11,13,15,18]) It is difficult to judge whether this indicates that significant breakthroughs are about to hit the docking field or simply the crowding of the field with minor incremental developments.”
- SwissDock, a protein-small molecule docking web service based on EADock DSS (2011, methodology): “They correspond to presets described previously (20).”