Prem P. Chapagain

The paper identifies a potential hinge region in MtbTOP1 critical for conformational changes during DNA relaxation, showing that mutations disrupt enzyme activity.

EMoMiS identifies molecular mimicry between SARS-CoV-2 proteins and viral/human proteins, offering insights into cross-protection and side effects.

The paper identifies potential inhibitors of TOP3B using molecular dynamics and docking, showing that bemcentinib and its analogs inhibit TOP3B relaxation activity.

This study surveys and evaluates state-of-the-art scoring functions for protein-protein docking, comparing classical and deep learning-based approaches.

This study identifies pyrrolidine pentamine derivatives as inhibitors of AAC(6')-Ib, showing that structural modifications affect inhibitory activity and that molecular docking correlates with potency.

This study shows that minor electrostatic changes in VP40 significantly affect membrane binding, assembly, and budding of Ebola virus-like particles.

Epitopedia identifies regions of molecular mimicry between pathogens and immune epitopes by analyzing structural similarity and sequence identity.

The paper introduces PIsToN, a transformer-based model for predicting protein binding interfaces, which outperforms existing methods on benchmark datasets.

The paper identifies molecular mimicry between SARS-CoV-2 Spike and human proteins that may contribute to autoimmune responses in COVID-19.

This study identifies two lysine-rich regions in VP40 that bind PI(4,5)P2, stabilizing oligomers necessary for EBOV budding and assembly, with quercetin inhibiting this process.

This study shows that mutating cysteine residues in Ebola virus VP40 increases its binding to phosphatidylserine membranes, leading to longer virus-like particles and enhanced budding.