[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 …

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

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 …

[HTML][HTML] 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

[HTML][HTML] 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 …

Profiling the disintegration of BRPs released by massive wasp stings using serratiopeptidase: An in-silico insight

A Dhiman, R Purohit - Computers in Biology and Medicine, 2023 - Elsevier
… used HADDOCK v2.4 (High Ambiguity Driven Protein-Protein DOCKing) an information-driven
dockingHADDOCK is a flexible docking approach for designing biomolecular complexes …

[引用][C] On the study of biomolecular interactions at different resolutions: Does size matter?

JL Roel Touris - 2021 - Utrecht University

Structure, dynamics, and function of SrnR, a transcription factor for nickel-dependent gene expression

L Mazzei, F Musiani, S Żerko, W Koźminski… - Metallomics, 2021 - academic.oup.com
… A second HADDOCK docking round was then carried out … semi-flexible refinement stage to
prevent helical deformation. … information on the SgSrnR proteinDNA interaction, we inferred …