MURCIA
Molecular Unburied Rapid Calculation of Individual Areas
GPU-accelerated solvent-accessible surface area calculation.
About
MURCIA leverages massively parallel GPUs to compute solvent-accessible surface area (SASA) of biomolecules. SASA is a building block of many biophysical models (binding-affinity prediction, protein folding, MD analysis) but is computationally expensive on large systems — MURCIA bridges that gap.
It has been tested on systems with up to millions of atoms and was, at the time of publication, one of the fastest SASA implementations available.
It also provides a framework for accelerating molecular surface visualization in standard graphics programs.
Key features
GPU-parallel SASA
Massively parallel implementation of solvent-accessible surface area.
Scales to millions of atoms
Tested on systems well beyond typical small-protein sizes.
Visualisation acceleration
Framework usable inside standard molecular graphics tools.
Access
HPC tool
Request access by email
Requires NVIDIA CUDA-capable GPU · academic use on request
mailto:hperez@ucam.edu?subject=MURCIA%20access →Cite this tool
Accelerated conformational entropy calculations using graphic processing units