An effective approach for generating a three-Cys2His2 zinc-finger-DNA complex model by docking

M Rajasekaran, C Chun-Chi, C Chinpan - 2010 - agris.fao.org
Background Determination of protein-DNA complex structures with both NMR and X-ray
crystallography remains challenging in many cases. High Ambiguity-Driven DOCKing …

Methods and applications in proteins and RNAs

H Liu, Z Gong, Y Zhao - Life, 2023 - mdpi.com
Proteins and RNAs are primary biomolecules that are involved in most biological processes.
Coding RNAs are responsible for gene expression and protein synthesis, whereas non …

FiberDock: a web server for flexible induced-fit backbone refinement in molecular docking

E Mashiach, R Nussinov, HJ Wolfson - Nucleic acids research, 2010 - academic.oup.com
Protein–protein docking algorithms aim to predict the structure of a complex given the atomic
structures of the proteins that assemble it. The docking procedure usually consists of two …

DNAproDB: an interactive tool for structural analysis of DNA–protein complexes

JM Sagendorf, HM Berman, R Rohs - Nucleic acids research, 2017 - academic.oup.com
Many biological processes are mediated by complex interactions between DNA and
proteins. Transcription factors, various polymerases, nucleases and histones recognize and …

From nonspecific DNA–protein encounter complexes to the prediction of DNA–protein interactions

M Gao, J Skolnick - Plos Computational Biology, 2009 - journals.plos.org
DNA–protein interactions are involved in many essential biological activities. Because there
is no simple mapping code between DNA base pairs and protein amino acids, the prediction …

An effective approach for generating a three-Cys2His2 zinc-finger-DNA complex model by docking

CC Chou, M Rajasekaran, C Chen - BMC bioinformatics, 2010 - Springer
Background Determination of protein-DNA complex structures with both NMR and X-ray
crystallography remains challenging in many cases. High Ambiguity-Driven DOCKing …

Molecular flexibility in protein–DNA interactions

S Günther, K Rother, C Frömmel - Biosystems, 2006 - Elsevier
In living cells protein–DNA interactions are fundamental processes. Here, we compare the
3D structures of several DNA-binding proteins frequently determined with and without …

MELD-DNA: A new tool for capturing protein-DNA binding

A Bauzá, A Pérez - bioRxiv, 2021 - biorxiv.org
Herein we present MELD-DNA, a novel computational approach to address the problem of
protein-DNA structure prediction. This method addresses well-known issues hampering …

Pre‐and post‐docking sampling of conformational changes using ClustENM and HADDOCK for protein‐protein and protein‐DNA systems

Z Kurkcuoglu, AMJJ Bonvin - Proteins: Structure, Function, and …, 2020 - Wiley Online Library
Incorporating the dynamic nature of biomolecules in the modeling of their complexes is a
challenge, especially when the extent and direction of the conformational changes taking …

Knob-Socket To'Em: Investigating Protein/DNA Binding Interactions Using the Knob Socket Model

S Elson, V Chen - 2016 - scholarlycommons.pacific.edu
Understanding how proteins specifically bind and recognize DNA has important implications
in the understanding of many diseases and how to combat them. The Knob-Socket model of …