AlphaFold, allosteric, and orthosteric drug discovery: Ways forward

R Nussinov, M Zhang, Y Liu, H Jang - Drug discovery today, 2023 - Elsevier
Highlights•AlphaFold models have rigid protein structures.•Advanced deep algorithms fed
relevant data can accurately predict structures.•Algorithmic advances can harness …

Functional protein dynamics in a crystal

E Klyshko, JS Kim, L McGough, V Valeeva, E Lee… - Biophysical …, 2024 - cell.com
Proteins are molecular machines and to understand how they work, we need to understand
how they move. New pump-probe time-resolved X-ray diffraction methods open up ways to …

Biophysics at the dawn of exascale computers

A Singharoy, A Pérez, C Chipot - Biophysical journal, 2023 - cell.com
We are happy to present the special issue titled Biophysics at the Dawn of Exascale
Computers to commemorate the BPS Thematic Meeting held in Hamburg, Germany, in May …