[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 - 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 …
Structural analysis of protein-DNA binding specificity and its application to protein-DNA docking assessment
RIC de la Fuente - 2016 - search.proquest.com
… use to perform DNA recognition. In conclusion, very interesting results have been found so
far by studying proteinDNA complexes using … disorder or flexibility is directly involved in DNA-…
far by studying proteinDNA complexes using … disorder or flexibility is directly involved in DNA-…
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 …
Rational design of an XNA ligase through docking of unbound nucleic acids to toroidal proteins
… In these closed complexes, the flexible DNA adopts typically a structure that deviates from
… The default protocol for protein–DNA docking in HADDOCK is not suitable to reproduce …
… The default protocol for protein–DNA docking in HADDOCK is not suitable to reproduce …
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 …
Applications of in silico methods for design and development of drugs targeting protein-protein interactions
… Water-mediated hydrogen bonds are very common in protein complexes with DNA, other
proteins … HADDOCK An information-driven flexible docking approach for the modeling of bio- …
proteins … HADDOCK An information-driven flexible docking approach for the modeling of bio- …
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 …