Multiscale topological indices for the quantitative prediction of SARS CoV-2 binding affinity change upon mutations
The Coronavirus disease 2019 (COVID-19) has affected people's lives and the development
of the global economy. Biologically, protein–protein interactions between SARS-CoV-2 …
of the global economy. Biologically, protein–protein interactions between SARS-CoV-2 …
MpbPPI: a multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein–protein interactions
Y Yue, S Li, L Wang, H Liu, HHY Tong… - Briefings in …, 2023 - academic.oup.com
The accurate prediction of the effect of amino acid mutations for protein–protein interactions
(PPI) is a crucial task in protein engineering, as it provides insight into the relevant biological …
(PPI) is a crucial task in protein engineering, as it provides insight into the relevant biological …
Predicting Affinity Through Homology (PATH): Interpretable Binding Affinity Prediction with Persistent Homology
Accurate binding affinity prediction is crucial to structure-based drug design. Recent work
used computational topology to obtain an effective representation of protein-ligand …
used computational topology to obtain an effective representation of protein-ligand …
A stability theorem for bigraded persistence barcodes
A Bahri, I Limonchenko, T Panov, J Song… - arXiv preprint arXiv …, 2023 - arxiv.org
We define the bigraded persistent homology modules and the bigraded barcodes of a finite
pseudo-metric space X using the ordinary and double homology of the moment-angle …
pseudo-metric space X using the ordinary and double homology of the moment-angle …
Mod Buchstaber invariant
D Baralic, A Vavpetic, A Vucic - arXiv preprint arXiv:2312.03010, 2023 - arxiv.org
We investigate the mod $ p $ Buchstaber invariant of the skeleta of simplices, for a prime
number $ p $, and compare them for different values of $ p $. For $ p= 2$, the invariant is the …
number $ p $, and compare them for different values of $ p $. For $ p= 2$, the invariant is the …