BeAtMuSiC: prediction of changes in protein–protein binding affinity on mutations

Y Dehouck, JM Kwasigroch, M Rooman… - Nucleic acids …, 2013 - academic.oup.com
The ability of proteins to establish highly selective interactions with a variety of (macro)
molecular partners is a crucial prerequisite to the realization of their biological functions. The …

Protein–protein binding affinity prediction from amino acid sequence

K Yugandhar, MM Gromiha - Bioinformatics, 2014 - academic.oup.com
Motivation: Protein–protein interactions play crucial roles in many biological processes and
are responsible for smooth functioning of the machinery in living organisms. Predicting the …

Computational approaches for predicting the binding sites and understanding the recognition mechanism of protein–DNA complexes

MM Gromiha, R Nagarajan - Advances in protein chemistry and structural …, 2013 - Elsevier
Protein–DNA recognition plays an important role in the regulation of gene expression.
Understanding the influence of specific residues for protein–DNA interactions and the …

Predicting the immune escape of SARS-CoV-2 neutralizing antibodies upon mutation

D Sharma, P Rawat, V Greiff, V Janakiraman… - … et Biophysica Acta (BBA …, 2024 - Elsevier
COVID-19 has resulted in millions of deaths and severe impact on economies worldwide.
Moreover, the emergence of SARS-CoV-2 variants presented significant challenges in …

Structural, energetic and lipophilic analysis of SARS-CoV-2 non-structural protein 9 (NSP9)

J de O. Araújo, S Pinheiro, WJ Zamora, CN Alves… - Scientific Reports, 2021 - nature.com
In SARS-CoV-2 replication complex, the Non-structural protein 9 (Nsp9) is an important RNA
binding subunit in the RNA-synthesizing machinery. The dimeric forms of coronavirus Nsp9 …

Protein-protein interactions and prediction: a comprehensive overview

G Sowmya, S Ranganathan - Protein and peptide letters, 2014 - ingentaconnect.com
Molecular function in cellular processes is governed by protein-protein interactions (PPIs)
within biological networks. Selective yet specific association of these protein partners …

Elucidating important structural features for the binding affinity of spike‐SARS‐CoV‐2 neutralizing antibody complexes

D Sharma, P Rawat, V Janakiraman… - Proteins: Structure …, 2022 - Wiley Online Library
Abstract The coronavirus disease 2019 (COVID‐19) has affected the lives of millions of
people around the world. In an effort to develop therapeutic interventions and control the …

[HTML][HTML] Protein-protein interfaces are vdW dominant with selective H-bonds and (or) electrostatics towards broad functional specificity

C Nilofer, A Sukhwal, A Mohanapriya… - Bioinformation, 2017 - ncbi.nlm.nih.gov
Several catalysis, cellular regulation, immune function, cell wall assembly, transport,
signaling and inhibition occur through Protein-Protein Interactions (PPI). This is possible …

Prediction of protein–protein interaction sites with machine-learning-based data-cleaning and post-filtering procedures

GH Liu, HB Shen, DJ Yu - The Journal of membrane biology, 2016 - Springer
Accurately predicting protein–protein interaction sites (PPIs) is currently a hot topic because
it has been demonstrated to be very useful for understanding disease mechanisms and …

Understanding the molecular basis of MK2–p38α signaling complex assembly: insights into protein–protein interaction by molecular dynamics and free energy studies

Y Yang, H Liu, X Yao - Molecular BioSystems, 2012 - pubs.rsc.org
The formation of a p38 MAPK and MAPK-activated protein kinase 2 (MK2) signaling
complex is physiologically relevant to cellular responses such as the proinflammatory …