Folding–unfolding asymmetry and a RetroFold computational algorithm
S Shityakov, EV Skorb… - Royal Society Open …, 2023 - royalsocietypublishing.org
We treat protein folding as molecular self-assembly, while unfolding is viewed as
disassembly. Fracture is typically a much faster process than self-assembly. Self-assembly is …
disassembly. Fracture is typically a much faster process than self-assembly. Self-assembly is …
Topological bio-scaling analysis as a universal measure of protein folding
S Shityakov, EV Skorb… - Royal Society Open …, 2022 - royalsocietypublishing.org
Scaling relationships for polymeric molecules establish power law dependencies between
the number of molecular segments and linear dimensions, such as the radius of gyration …
the number of molecular segments and linear dimensions, such as the radius of gyration …
On the Scalability of GNNs for Molecular Graphs
M Sypetkowski, F Wenkel, F Poursafaei… - arxiv preprint arxiv …, 2024 - arxiv.org
Scaling deep learning models has been at the heart of recent revolutions in language
modelling and image generation. Practitioners have observed a strong relationship between …
modelling and image generation. Practitioners have observed a strong relationship between …
Quantitative analysis of visual codewords of a protein distance matrix
J Pražnikar, NT Attygalle - Plos one, 2022 - journals.plos.org
3D protein structures can be analyzed using a distance matrix calculated as the pairwise
distance between all Cα atoms in the protein model. Although researchers have efficiently …
distance between all Cα atoms in the protein model. Although researchers have efficiently …