Aggrescan4D: A comprehensive tool for pH‐dependent analysis and engineering of protein aggregation propensity

M Zalewski, V Iglesias, O Bárcenas, S Ventura… - Protein …, 2024 - Wiley Online Library
Abstract Aggrescan4D (A4D) is an advanced computational tool designed for predicting
protein aggregation, leveraging structural information and the influence of pH. Building upon …

Exploring protein functions from structural flexibility using CABS‐flex modeling

C Nithin, RP Fornari, SP Pilla, K Wroblewski… - Protein …, 2024 - Wiley Online Library
Understanding protein function often necessitates characterizing the flexibility of protein
structures. However, simulating protein flexibility poses significant challenges due to the …

A3D Model Organism Database (A3D-MODB): a database for proteome aggregation predictions in model organisms

AE Badaczewska-Dawid, A Kuriata… - Nucleic Acids …, 2024 - academic.oup.com
Protein aggregation has been associated with aging and different pathologies and
represents a bottleneck in the industrial production of biotherapeutics. Numerous past …

[HTML][HTML] Bioengineered self-assembled nanofibrils for high-affinity SARS-CoV-2 capture and neutralization

M Behbahanipour, S Navarro, O Bárcenas… - Journal of colloid and …, 2024 - Elsevier
The recent coronavirus disease 2019 (COVID-19) pandemic caused by the severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) has spurred intense research efforts to …

A Reversible Spherical Geometric Conversion of Protein Backbone Structure Coordinate Matrix to Three Independent Vectors of ρ, θ and φ

W Li - 2024 - preprints.org
Due to the vast conformational space proteins can adopt, accurate and efficient prediction of
protein structure remains still a challenging task, coupled with the intricacies of interatomic …

Advanced computational approaches to understand protein aggregation

D Ghosh, A Biswas, M Radhakrishna - Biophysics Reviews, 2024 - pubs.aip.org
Protein aggregation is a widespread phenomenon implicated in debilitating diseases like
Alzheimer's, Parkinson's, and cataracts, presenting complex hurdles for the field of …

Deciphering the modulatory role of mutations in protein aggregation through in silico methods

R Prabakaran, P Rawat, S Kumar… - … on Structure, Functions …, 2025 - World Scientific
A substantial portion of the cellular homeostasis network is dedicated to managing the
consequences of protein aggregation, a process that cannot be avoided. In recent decades …