Software Development for Biomolecular Simulation
The Laughton Group

About Us

Based in the School of Pharmacy at the University of Nottingham, we develop software for biomolecular simulation.

Our aim is to make it easy for researchers to access powerful computational resources, and make the best possible use of them.

We don't just develop software, we use it - as part of multidisciplinary research projects in drug design and formulation development.

Software

Our software is targetted at computational scientists, not computer scientists. We aim for simplicity of installation and use, and shallow learning curves.

PyPcazip

Principal component analysis for MD data

Crossbow

Adaptively-scaling compute clusters in the cloud

Crossflow

Molecular modelling workflows for distributed resources.

CoCo

The Complementary Coordinates method for enhanced sampling.

Tios

The Internet of Things for biomolecular simulations.

Pinda

Containerized tools for biomolecular simulation.

EcPc

A simple tool for launching and managing AWS instances.

Longbow

Remote job submission to HPC services.

MDPlus

A collection of Python utilities for biomolecular simulation data.

Collaborations

some of our key collaborations:

Funders

We gratefully acknowledge our current and recent funders:

Contact details


If you would like to know more about our research or software development activities, please get in touch.