Prediction of protein-protein interaction sites in intrinsically disordered proteins

R Chen, X Li, Y Yang, X Song, C Wang… - Frontiers in Molecular …, 2022 - frontiersin.org
Intrinsically disordered proteins (IDPs) participate in many biological processes by
interacting with other proteins, including the regulation of transcription, translation, and the …

Intrinsic Disorder and Other Malleable Arsenals of Evolved Protein Multifunctionality

A Aftab, S Sil, S Nath, A Basu, S Basu - Journal of Molecular Evolution, 2024 - Springer
Microscopic evolution at the functional biomolecular level is an ongoing process.
Leveraging functional and high-throughput assays, along with computational data mining …

EnCPdock: a web-interface for direct conjoint comparative analyses of complementarity and binding energetics in inter-protein associations

G Biswas, D Mukherjee, N Dutta, P Ghosh… - Journal of Molecular …, 2023 - Springer
Context Protein–protein interaction (PPI) is a key component linked to virtually all cellular
processes. Be it an enzyme catalysis ('classic type functions' of proteins) or a signal …

Effects of a plant cyclotide on conformational dynamics and destabilization of β-amyloid fibrils through molecular dynamics simulations

NV Kalmankar, BR Gehi, R Sowdhamini - Frontiers in Molecular …, 2022 - frontiersin.org
Aggregation of β-amyloid (Aβ) peptide is one of the hallmarks of Alzheimer's disease (AD)
which results in chronic and progressive neurodegeneration of the brain. A recent study by …

Mutational dynamics of SARS-CoV-2: Impact on future COVID-19 vaccine strategies

N Faraji, T Zeinali, F Joukar, MS Aleali, N Eslami… - Heliyon, 2024 - cell.com
The rapid emergence of multiple strains of Severe Acute Respiratory Syndrome Coronavirus-
2 (SARS-CoV-2) has sparked profound concerns regarding the ongoing evolution of the …

[HTML][HTML] Computational Insights into Acrylamide Fragment Inhibition of SARS-CoV-2 Main Protease

P Chen, L Wu, B Qin, H Yao, D Xu, S Cui… - Current Issues in …, 2024 - mdpi.com
The pathogen of COVID-19, SARS-CoV-2, has caused a severe global health crisis. So far,
while COVID-19 has been suppressed, the continuous evolution of SARS-CoV-2 variants …

From the hydrophobic core to the globular-disorder interface: New challenges and insights into protein design

S Basu, D Chakravarty, Q Hou… - Frontiers in Molecular …, 2023 - frontiersin.org
The biophysical foundations of protein folding (Dill and MacCallum, 2012) still remain
largely unexplained despite the many years of intensive experimental (Dobson, 2004) and …

The Evolutionary Mapping of Intrinsic Disorder and Evolved Protein Multi-functionality (Commentary)

A Aftab, A Basu, S Nath, S Basu - 2024 - preprints.org
The evolution of human society over the course of decades and centuries has led to an ever-
increasing ly complex modern life, one of the hallmark of which is the need for multi-tasking …

On the Origin Debate and Plausible Future Endeavours of COVID-19 (Commentary)

D Nandy, B Chatterjee, S Basu - 2023 - preprints.org
Globally, we are undergoing compelling changes in virtually every branch of the society and
every aspect of our daily lives over the last couple of years due to the COVID-19 pandemic …

Plot-Tools in Protein Structure Validations: From the Ramachandran Plot to the Complementarity Plot (Commentary)

S Basu - 2023 - preprints.org
A picture is worth a thousand words. Many branches of Science have been historically
benefited with plots and visual analyses (lately, image processing and deep learning) …