SUPR
Uppsala-Lund Computational Biophysics Initiative
Dnr:

NAISS 2024/3-20

Type:

NAISS Large Compute

Principal Investigator:

Peter Kasson

Affiliation:

Uppsala universitet

Start Date:

2025-01-01

End Date:

2026-01-01

Primary Classification:

10307: Biophysics

Secondary Classification:

10402: Physical Chemistry

Tertiary Classification:

30109: Microbiology in the Medical Area

Allocation

Abstract

This project supports a joint Uppsala-Lund collaboration in computational biophysics. Separate application areas are pursued in enveloped viral entry and protein-membrane interaction and the mechanism, evolution, and design of enzymatic catalysts respectively. However, the participating groups collaborate heavily in the areas of methods development, and this synergy motivates the joint compute proposal. Recent methods include approaches to analyze the network structure of evolutionary groups of proteins, generating hypotheses for protein design, as well as statistical methods for analyzing noncovalent interactions, and these have generated multiple joint papers in the past year. Joining our two compute allocations will further potentiate our research synergies.