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HADDOCK (High Ambiguity Driven protein-protein DOCKing) is an information-driven flexible docking approach for the modeling of biomolecular complexes.
This tutorial will demonstrate the use of HADDOCK for predicting the structure of a protein-protein complex from NMR chemical shift perturbation (CSP) data. Namely, we will dock two E. coli proteins involved in glucose transport: the glucose-specific enzyme IIA (E2A) and the histidine-containing phosphocarrier protein (HPr).
haddock v3: The High Ambiguity Driven biomolecular DOCKing is our flagship software, it is an integrative platform for modelling biomolecular complexes. It is one of the most popular software for protein-protein and protein-ligand docking.
The first docking step in HADDOCK is a rigid body energy minimization. First the molecules are separated by a minimum of 25Å and rotated randomly around their center of mass. This randomization step can be turned off in the run.cns parameter file.
21 Ιαν 2003 · 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 experiments or mutagenesis data.
10 Οκτ 2020 · To this end, we use the integrative modelling software HADDOCK, which possesses the powerful ability to incorporate experimental data, such as NMR Chemical Shift Perturbations and biochemical protein-peptide interaction data, as restraints to guide the docking process.
18 Αυγ 2018 · 1 Citations. Download reference work entry PDF. Definition. HADDOCK (High Ambiguity Driven biomolecular DOCKing) is an information-driven flexible docking approach for the modeling of biomolecular complexes (Dominguez et al. 2003 ).
