The HADDOCK web server for data-driven biomolecular docking
Computational docking is the prediction or modeling of the three-dimensional structure of a
biomolecular complex, starting from the structures of the individual molecules in their free …
biomolecular complex, starting from the structures of the individual molecules in their free …
Data‐driven docking for the study of biomolecular complexes
With the amount of genetic information available, a lot of attention has focused on systems
biology, in particular biomolecular interactions. Considering the huge number of such …
biology, in particular biomolecular interactions. Considering the huge number of such …
The HDOCK server for integrated protein–protein docking
Abstract The HDOCK server (http://hdock. phys. hust. edu. cn/) is a highly integrated suite of
homology search, template-based modeling, structure prediction, macromolecular docking …
homology search, template-based modeling, structure prediction, macromolecular docking …
Computational protein–ligand docking and virtual drug screening with the AutoDock suite
Computational docking can be used to predict bound conformations and free energies of
binding for small-molecule ligands to macromolecular targets. Docking is widely used for the …
binding for small-molecule ligands to macromolecular targets. Docking is widely used for the …
SwissDock, a protein-small molecule docking web service based on EADock DSS
A Grosdidier, V Zoete, O Michielin - Nucleic acids research, 2011 - academic.oup.com
Most life science processes involve, at the atomic scale, recognition between two molecules.
The prediction of such interactions at the molecular level, by so-called docking software, is a …
The prediction of such interactions at the molecular level, by so-called docking software, is a …
The art and science of molecular docking
Molecular docking has become an essential part of a structural biologist's and medicinal
chemist's toolkits. Given a chemical compound and the three-dimensional structure of a …
chemist's toolkits. Given a chemical compound and the three-dimensional structure of a …
PatchDock and SymmDock: servers for rigid and symmetric docking
D Schneidman-Duhovny, Y Inbar… - Nucleic acids …, 2005 - academic.oup.com
Here, we describe two freely available web servers for molecular docking. The PatchDock
method performs structure prediction of protein–protein and protein–small molecule …
method performs structure prediction of protein–protein and protein–small molecule …
Integrating molecular docking and molecular dynamics simulations
Computational methods, applied at the early stages of the drug design process, use current
technology to provide valuable insights into the understanding of chemical systems in a …
technology to provide valuable insights into the understanding of chemical systems in a …
FireDock: a web server for fast interaction refinement in molecular docking
E Mashiach, D Schneidman-Duhovny… - Nucleic acids …, 2008 - academic.oup.com
Structural details of protein–protein interactions are invaluable for understanding and
deciphering biological mechanisms. Computational docking methods aim to predict the …
deciphering biological mechanisms. Computational docking methods aim to predict the …
An integrated suite of fast docking algorithms
E Mashiach, D Schneidman‐Duhovny… - Proteins: Structure …, 2010 - Wiley Online Library
Abstract The CAPRI experiment (Critical Assessment of Predicted Interactions) simulates
realistic and diverse docking challenges, each case having specific properties that may be …
realistic and diverse docking challenges, each case having specific properties that may be …