Collaborative Computational Project for Biomolecular Simulation
Funded and supported by UKRI, STFC, and EPSRC CCPBioSim promotes the use of computer simulations for understanding biological molecules and their function. They run training workshops, conferences and support software development. CCPBioSim’s aim is to make biomolecular simulation more accessible, by building an inclusive and creative community, that shares and showcased the most exciting simulations and new tools, whilst interfacing with experiments and industry.
CCP-BioSim and PSDI
CCPBioSim is focused on developing software tools for making biomolecular simulations FAIR compatible. The outputs created through CCPBioSim. The resources that have been developed by CCPBioSim originated from PSDI’s Biomolecular Simulation Pathfinder.
BioSim is a collection of tools and services designed to transform biomolecular simulations by capturing and archiving the full provenance of each simulation. It meticulously records every step – from experimental structures to force field configurations and computational parameters – ensuring research is reproducible, transparent, and efficient. This approach helps scientists to avoid redundant efforts, improves the reliability of findings, and supports AI-driven drug discovery and molecular modelling.