Here, we present an approach called HADDOCK (High Ambiguity Driven protein-protein Docking) that makes use of biochemical and/or biophysical interaction data such as chemical shift perturbation data resulting from NMR titration expenments or mutagenesis data. This information is introduced as Ambiguous...
Therefore, we propose a new scoring function, dMM-PBSA, to be used together with the built-in HADDOCK score in the context of protein-peptide docking simulations. 展开 关键词: MM-PBSA scoring function binding free energies haddock protein-peptide interaction ...
HADDOCK: A Protein-Protein Docking Approach Based on Biochemical or Biophysical Information. The structure determination of protein-protein complexes is a rather tedious and lengthy process, by both NMR and X-ray crystallography. Several methods ba... Dominguez,Cyril,Boelens,... - 《Journal of the...
Nature Protocols 5, 883-897 (2010) doi:10.1038/nprot.2010.32 INTRODUCTION Biomolecular complexes are the molecular The HADDOCK web server for data- machines of the cell. In order to fully driven biomolecular docking understand how the various units work together to fulfil their tasks, structural kn...
protein–protein dockingHADDOCKbioinformaticsmacromolecular dockingthreeヾimensional structureweb serverbiomolecular modelingAdvances in biophysics and biochemistry have pushed back the limits of the structural characterization of biomolecular assemblies. Mixing even a limited amount of experimental and/or ...
protein–protein dockingHADDOCKbioinformaticsmacromolecular dockingthree‐dimensional structureweb serverbiomolecular modelingAdvances in biophysics and biochemistry have pushed back the limits of the structural characterization of biomolecular assemblies. Mixing even a limited amount of experimental and/or ...
Conclusions The new MTMDAT-HADDOCK pipeline enables direct high-throughput modeling of protein complexes from mass spectrometry data. MTMDAT-HADDOCK can be downloaded from http://www.ifm.liu.se/chemistry/molbiotech/maria_sunnerhagens_group/mtmdat/ webcitetogether with the manual and example files. ...