The trivariate wrapped Cauchy copula--a multi-purpose model for angular data

S Kato, C Ley, S Loizidou - arxiv preprint arxiv:2401.10824, 2024 - arxiv.org
In this paper, we will present a new flexible distribution for three-dimensional angular data,
or data on the three-dimensional torus. Our trivariate wrapped Cauchy copula has the …

Protein-Ligand Complex Generator & Drug Screening via Tiered Tensor Transform

JP Mailoa, Z Ye, J Qiu, CY Hsieh, S Zhang - arxiv preprint arxiv …, 2023 - arxiv.org
The generation of small molecule candidate (ligand) binding poses in its target protein
pocket is important for computer-aided drug discovery. Typical rigid-body docking methods …

Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters

M Arts, J Frellsen, W Boomsma - arxiv preprint arxiv:2302.13711, 2023 - arxiv.org
After the recent ground-breaking advances in protein structure prediction, one of the
remaining challenges in protein machine learning is to reliably predict distributions of …