2 papers
q-bio.BM2026
AlphaFunctor: Bridging The Gap Between Protein Function Annotation and Property Prediction
Xiang Liu, Anna E. Yee, Josh V. Vermaas +2
The fundamental relationship among protein sequence, structure, function, and physicochemical properties is a central principle in biology. While in principle protein function and…
physics.comp-ph2021
A Reversible Unwrapping Algorithm for Constant Pressure Molecular Dynamics Simulations
Martin Kulke, Josh V Vermaas
Molecular simulation technologies have afforded researchers a unique look into the nanoscale interactions driving physical processes. However, a limitation for molecular dynamics (…