Docking algorithms and scoring functions
A Afanasyeva, C Nagao, K Mizuguchi - PROTEIN INTERACTIONS …, 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 …
Application of computational docking to the characterization and modulation of protein-protein interactions of biomedical interest
M Rosell Oliveras - 2020 - diposit.ub.edu
… -body docking, template-based modeling, flexible optimization, … sequence of the DNA that
codes for the specific protein. The … models, such as FireDock [84], ICM-DISCO [74], HADDOCK […
codes for the specific protein. The … models, such as FireDock [84], ICM-DISCO [74], HADDOCK […
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 …
Protein–protein docking: Past, present, and future
S Sunny, PB Jayaraj - The protein journal, 2022 - Springer
… to different databases, information-driven approaches can be a … of docking technique is
based on the flexibility of interacting … This is integrated with HADDOCK energy terms to boost the …
based on the flexibility of interacting … This is integrated with HADDOCK energy terms to boost the …
The Pros and Cons of Backbone Flexibility in Molecular Dynamics Docking of Protein Complexes
NF Faruk - 2021 - search.proquest.com
… study by the HADDOCK … of information driven antibody-antigen docking. However, the
primary goal of this paper is to assess the Upside model’s suitability for predicting protein-protein …
primary goal of this paper is to assess the Upside model’s suitability for predicting protein-protein …
An in silico study of how histone tail conformation affects the binding affinity of ING family proteins
N Gül, A Yıldız - PeerJ, 2022 - peerj.com
… Haddock 2.4 is an information-driven flexible docking approach for modeling. Haddock 2.4
implements the topology of the molecules to be docked automatically. For the production of …
implements the topology of the molecules to be docked automatically. For the production of …
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 … double helix geometry due to DNA flexibility and the deformation caused by the protein in …
v2.4 … double helix geometry due to DNA flexibility and the deformation caused by the protein in …
Modeling and structure determination of homo-oligomeric proteins: An overview of challenges and current approaches
A Gaber, M Pavšič - International journal of molecular sciences, 2021 - mdpi.com
… complexes with dihedral symmetry can also be modeled with HADDOCK [103,105], one
of … to identify docking poses, consistent with provided restraints. Second, there is a semi-flexible …
of … to identify docking poses, consistent with provided restraints. Second, there is a semi-flexible …
Computational Approaches for Elucidating Protein-Protein Interactions in Cation Channel Signaling
B Hu, X Zheng, Y Wang, J Wang… - Current Drug Targets, 2020 - ingentaconnect.com
… HADDOCK Computational Structural Biology group / Science Faculty / Utrecht University
An information-driven flexible docking … feasible docking modes of pairs of protein and DNA …
An information-driven flexible docking … feasible docking modes of pairs of protein and DNA …
[HTML][HTML] The diversity of molecular interactions involving intrinsically disordered proteins: A molecular modeling perspective
… Numerous studies of multi-domain proteins involving flexible … in the core of the protein which
is responsible for DNA binding, … docking the ensemble of the unbound pSic1 to Cdc4 using …
is responsible for DNA binding, … docking the ensemble of the unbound pSic1 to Cdc4 using …