Assessing structural predictions of protein–protein recognition: the capri experiment

J Janin, SJ Wodak, MF Lensink… - … Chemistry Volume 28, 2015 - Wiley Online Library
… the flexibility of the protein backbone, as is discussed in this chapter. A critical test of a docking
… annealing techniques in RosettaDock59 and HADDOCK.These calculations are usually …

Structure based peptide design, molecular dynamics and MM-PBSA studies for targeting C terminal dimerization of NFAT5 DNA binding domain

AC Timucin - Journal of Molecular Graphics and Modelling, 2021 - Elsevier
HADDOCK was selected since it allows more flexibility to protein backbone and side chains
during the docking … , protein-protein and protein-DNA interactions. Relative binding free …

An efficient strategy for the determination of the three-dimensional architecture of ribonucleoprotein complexes by the combination of a few easily accessible NMR and …

P Li, J Kirkpatrick, T Carlomagno - Journal of molecular biology, 2009 - Elsevier
… By generating structural ensembles for these flexible loops, we … using HADDOCK (High
Ambiguity-Driven biomolecular … A previous study on proteinDNA docking used a weight of 1 for …

[HTML][HTML] Coarse-grained (hybrid) integrative modeling of biomolecular interactions

J Roel-Touris, AMJJ Bonvin - Computational and structural biotechnology …, 2020 - Elsevier
… This model also allows for the study of protein-DNA … In the context of integrative modeling
with HADDOCK, we recently … as rigid-bodies or as flexible shapes. A spatial restraints-driven …

Identification of DNA-binding protein target sequences by physical effective energy functions: free energy analysis of lambda repressor-DNA complexes.

E Moroni, M Caselle, F Fogolari - BMC Structural Biology, 2007 - Springer
Protein-DNA recognition plays an essential role in the … The degree of redundancy and
flexibility seems to suggest … implicit in the assumption of rigid docking, of the solvation model, of …

TFinDit: transcription factor-DNA interaction data depository

D Turner, RG Kim, J Guo - BMC bioinformatics, 2012 - Springer
… and TF-DNA docking algorithms, and the study of protein-DNA recognition mechanisms. …
protein-DNA interactions. These include development of knowledge-based protein-DNA

Structural basis and functional effects of the interaction between complement inhibitor C4b-binding protein and DNA

M Okroj, HT Jenkins, AP Herbert, PN Barlow… - Molecular …, 2008 - Elsevier
… 3′ prior to use in the HADDOCK docking. This structure serves … and hence allowed to move
in the C4BP12–DNA docking … as fully flexible, ie allowed to move in all stages of the docking

Biophysical aspect of phosphatidylinositol 3-kinase and role of oncogenic mutants (E542K & E545K)

N Kalsi, C Gopalakrishnan, V Rajendran… - Journal of …, 2016 - Taylor & Francis
… to carry out docking (Dominguez et al., Citation2003). As a result of docking using HADDOCK,
… In order to gain insight into the flexibility of native and mutant structures, we calculated the …

PDA: an automatic and comprehensive analysis program for protein-DNA complex structures

RG Kim, J Guo - BMC genomics, 2009 - Springer
protein-DNA interactions and should be useful in statistical potential development, protein-DNA
docking, … We use several measures to describe the nature of protein-DNA interactions: 1) …

[图书][B] Structure-Based Prediction of Protein-Protein Interaction Networks Across Proteomes

S Maheshwari - 2017 - search.proquest.com
… attention owing to the fact that the flexibility and disorder play an important role in … docking
program, HADDOCK [68]. Near-native structures constructed by docking simulations using