Pushing the limits of what is achievable in protein–DNA docking: benchmarking HADDOCK's performance
M van Dijk, AMJJ Bonvin - Nucleic acids research, 2010 - academic.oup.com
The intrinsic flexibility of DNA and the difficulty of identifying its interaction surface have long
been challenges that prevented the development of efficient protein–DNA docking methods …
been challenges that prevented the development of efficient protein–DNA docking methods …
Information-driven protein–DNA docking using HADDOCK: it is a matter of flexibility
Intrinsic flexibility of DNA has hampered the development of efficient protein− DNA docking
methods. In this study we extend HADDOCK (High Ambiguity Driven DOCKing)[C …
methods. In this study we extend HADDOCK (High Ambiguity Driven DOCKing)[C …
ParaDock: a flexible non-specific DNA—rigid protein docking algorithm
I Banitt, HJ Wolfson - Nucleic Acids Research, 2011 - academic.oup.com
Accurate prediction of protein–DNA complexes could provide an important stepping stone
towards a thorough comprehension of vital intracellular processes. Few attempts were made …
towards a thorough comprehension of vital intracellular processes. Few attempts were made …
Validation of a computational docking methodology to identify the non-covalent binding site of ligands to DNA
C Deligkaris, AT Ascone, KJ Sweeney… - Molecular …, 2014 - pubs.rsc.org
Despite the biomedical consequences of carcinogen–DNA interactions and the potential of
DNA as a drug target in medicinal chemistry, only a small number of studies have validated …
DNA as a drug target in medicinal chemistry, only a small number of studies have validated …
A protein–DNA docking benchmark
M van Dijk, AMJJ Bonvin - Nucleic acids research, 2008 - academic.oup.com
We present a protein–DNA docking benchmark containing 47 unbound–unbound test cases
of which 13 are classified as easy, 22 as intermediate and 12 as difficult cases. The latter …
of which 13 are classified as easy, 22 as intermediate and 12 as difficult cases. The latter …
Predicting protein–DNA interactions by full search computational docking
VA Roberts, ME Pique, LF Ten Eyck… - … : Structure, Function, and …, 2013 - Wiley Online Library
Protein–DNA interactions are essential for many biological processes. X‐ray crystallography
can provide high‐resolution structures, but protein‐DNA complexes are difficult to crystallize …
can provide high‐resolution structures, but protein‐DNA complexes are difficult to crystallize …
NPDock: a web server for protein–nucleic acid docking
Protein–RNA and protein–DNA interactions play fundamental roles in many biological
processes. A detailed understanding of these interactions requires knowledge about protein …
processes. A detailed understanding of these interactions requires knowledge about protein …
On docking, scoring and assessing protein-DNA complexes in a rigid-body framework
We consider the identification of interacting protein-nucleic acid partners using the rigid
body docking method FTdock, which is systematic and exhaustive in the exploration of …
body docking method FTdock, which is systematic and exhaustive in the exploration of …
A knowledge-based orientation potential for transcription factor-DNA docking
Motivation: Computational modeling of protein–DNA complexes remains a challenging
problem in structural bioinformatics. One of the key factors for a successful protein–DNA …
problem in structural bioinformatics. One of the key factors for a successful protein–DNA …
How 'protein-docking'translates into the new emerging field of docking small molecules to nucleic acids?
F Tessaro, L Scapozza - Molecules, 2020 - mdpi.com
In this review, we retraced the '40-year evolution'of molecular docking algorithms. Over the
course of the years, their development allowed to progress from the so-called 'rigid …
course of the years, their development allowed to progress from the so-called 'rigid …