[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

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 …

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-DNAflexibility

An SVM-based method for assessment of transcription factor-DNA complex models

RI Corona, S Sudarshan, S Aluru, J Guo - BMC bioinformatics, 2018 - Springer
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 …

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

Confidence assessment of protein-DNA complex models

RI Corona, S Sudarshan, J Guo… - 2017 IEEE International …, 2017 - ieeexplore.ieee.org
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 …

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

Rational design of an XNA ligase through docking of unbound nucleic acids to toroidal proteins

M Vanmeert, J Razzokov, MU Mirza… - Nucleic Acids …, 2019 - academic.oup.com
docking runs, the active residues were set to be semi-flexible. Each subunit was then surface
docked on the refined duplex using … protocol for proteinDNA docking in HADDOCK is not …

Definition of the Binding Architecture to a Target Promoter of HP1043, the Essential Master Regulator of Helicobacter pylori

A Zannoni, S Pelliciari, F Musiani, F Chiappori… - International Journal of …, 2021 - mdpi.com
… 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

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 …