Software for molecular docking: a review

NS Pagadala, K Syed, J Tuszynski - Biophysical reviews, 2017 - Springer
Molecular docking methodology explores the behavior of small molecules in the binding site
of a target protein. As more protein structures are determined experimentally using X-ray …

On the binding affinity of macromolecular interactions: daring to ask why proteins interact

PL Kastritis, AMJJ Bonvin - Journal of The Royal Society …, 2013 - royalsocietypublishing.org
Interactions between proteins are orchestrated in a precise and time-dependent manner,
underlying cellular function. The binding affinity, defined as the strength of these …

Structure-based prediction of protein–protein interactions on a genome-wide scale

QC Zhang, D Petrey, L Deng, L Qiang, Y Shi, CA Thu… - Nature, 2012 - nature.com
The genome-wide identification of pairs of interacting proteins is an important step in the
elucidation of cell regulatory mechanisms,. Much of our present knowledge derives from …

Accelerating protein docking in ZDOCK using an advanced 3D convolution library

BG Pierce, Y Hourai, Z Weng - PloS one, 2011 - journals.plos.org
Computational prediction of the 3D structures of molecular interactions is a challenging
area, often requiring significant computational resources to produce structural predictions …

Computational prediction of protein–protein binding affinities

T Siebenmorgen, M Zacharias - Wiley Interdisciplinary Reviews …, 2020 - Wiley Online Library
Protein–protein interactions form central elements of almost all cellular processes.
Knowledge of the structure of protein–protein complexes but also of the binding affinity is of …

Hepatitis B protein HBx binds the DLEU2 lncRNA to sustain cccDNA and host cancer-related gene transcription

D Salerno, L Chiodo, V Alfano, O Floriot, G Cottone… - Gut, 2020 - gut.bmj.com
Objective The HBV HBx regulatory protein is required for transcription from the covalently
closed circular DNA (cccDNA) minichromosome and affects the epigenetic control of both …

Protein–protein interactions: detection, reliability assessment and applications

X Peng, J Wang, W Peng, FX Wu… - Briefings in …, 2017 - academic.oup.com
Protein–protein interactions (PPIs) participate in all important biological processes in living
organisms, such as catalyzing metabolic reactions, DNA replication, DNA transcription …

Progress and challenges in predicting protein interfaces

R Esmaielbeiki, K Krawczyk, B Knapp… - Briefings in …, 2016 - academic.oup.com
The majority of biological processes are mediated via protein–protein interactions.
Determination of residues participating in such interactions improves our understanding of …

Computational prediction of protein–protein interaction networks: algorithms and resources

J Zahiri, J Hannon Bozorgmehr… - Current …, 2013 - ingentaconnect.com
Protein interactions play an important role in the discovery of protein functions and pathways
in biological processes. This is especially true in case of the diseases caused by the loss of …

xVis: a web server for the schematic visualization and interpretation of crosslink-derived spatial restraints

M Grimm, T Zimniak, A Kahraman… - Nucleic acids …, 2015 - academic.oup.com
The identification of crosslinks by mass spectrometry has recently been established as an
integral part of the hybrid structural analysis of protein complexes and networks. The …