Title:	Uppsala-Lund Computational Biophysics Initiative
DNr:	NAISS 2024/3-20
Project Type:	NAISS Large Compute
Principal Investigator:	Peter Kasson <peter.kasson@icm.uu.se>
Affiliation:	Uppsala universitet
Duration:	2025-01-01 – 2026-01-01
Classification:	10307 10402 30109
Homepage:	http://www.kassonlab.org
Keywords:

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.