[HTML][HTML] MARTINI-based protein-DNA coarse-grained HADDOCKing
RV Honorato, J Roel-Touris… - Frontiers in molecular …, 2019 - frontiersin.org
… The system is modeled using MARTINI topologies and … body docking and semi-flexible
refinement stages of HADDOCK, … this protocol using 44 complexes from the protein-DNA docking …
refinement stages of HADDOCK, … this protocol using 44 complexes from the protein-DNA docking …
Docking algorithms and scoring functions
A Afanasyeva, C Nagao, K Mizuguchi - … Methods, Analysis and …, 2020 - World Scientific
… Finally, we discuss the vexing issue of structural flexibility and the solutions that have been
… Information-driven proteinDNA docking using HADDOCK: It is a matter of flexibility. Nucleic …
… Information-driven proteinDNA docking using HADDOCK: It is a matter of flexibility. Nucleic …
Structural analysis of protein-DNA binding specificity and its application to protein-DNA docking assessment
RIC de la Fuente - 2016 - search.proquest.com
… protein-DNA complex structures was carried out to investigate the structural features for binding
specificity. The analysis was done using three curated datasets of protein-DNA … flexibility …
specificity. The analysis was done using three curated datasets of protein-DNA … flexibility …
An SVM-based method for assessment of transcription factor-DNA complex models
… protein-DNA complex structures, protein-DNA docking can be used to predict native or
near-native complex models. A docking … groups, rigid docking and flexible docking [8, 9]. Rigid …
near-native complex models. A docking … groups, rigid docking and flexible docking [8, 9]. Rigid …
Docking approaches for modeling multi-molecular assemblies
M Rosell, J Fernández-Recio - Current opinion in structural biology, 2020 - Elsevier
… The pioneering HADDOCK [16], as well as other protein–protein docking methods, such as
… other docking methods, especially for flexible cases. For highly flexible proteins, the docking …
… other docking methods, especially for flexible cases. For highly flexible proteins, the docking …
Confidence assessment of protein-DNA complex models
… using our rigid docking algorithm, the model can be applied as an assessment tool for both
rigid and flexible docking to estimate the quality of any protein-DNA … While flexible docking is …
rigid and flexible docking to estimate the quality of any protein-DNA … While flexible docking is …
Molecular docking of Enterocin-P peptide with DNA: an in silico study
SZ Mousavi, A Javadmanesh - The 1st International and the 10th …, 2022 - profdoc.um.ac.ir
… and modelling DNA–protein complexes has been developed with HADDOCK server [3]. …
flexibility of all DNA nucleotides and the residues of the protein at the predicted interface. Using …
flexibility of all DNA nucleotides and the residues of the protein at the predicted interface. Using …
Rational design of an XNA ligase through docking of unbound nucleic acids to toroidal proteins
… docking runs, the active residues were set to be semi-flexible. Each subunit was then surface
docked on the refined duplex using … protocol for protein–DNA docking in HADDOCK is not …
docked on the refined duplex using … protocol for protein–DNA docking in HADDOCK is not …
Definition of the Binding Architecture to a Target Promoter of HP1043, the Essential Master Regulator of Helicobacter pylori
… a data-driven protein-DNA docking. Results suggested that, … Considering that the flexible
linker is only six residues long, … obtained using the data-driven docking program HADDOCK …
linker is only six residues long, … obtained using the data-driven docking program HADDOCK …
Structural Characterization of the Interaction of Hypoxia Inducible Factor-1 with Its Hypoxia Responsive Element at the −964G > A Variation Site of the HLA-G …
CC Alves, EA Donadi, S Giuliatti - International Journal of Molecular …, 2021 - mdpi.com
… −964G/A alleles using x3DNA. Protein-DNA docking was performed using the HADDOCK
v2.4 … interaction induces changes in DNA double helix geometry due to DNA flexibility and the …
v2.4 … interaction induces changes in DNA double helix geometry due to DNA flexibility and the …