GLOBAL MOLECULAR MODELLING & SIMULATION EFFORTS TOWARD COVID19
The aim of this online resource is to host up-to-date links for covid19 related research that falls within the biomolecular modelling and simulation umbrella. Our ultimate aim is to help coordinate efforts to maximise efficiency by bringing together people, projects and resources.
There are a myriad different projects currently underway within the biosimulation community. Homology modelling and structure refinement projects which focus on the same proteins are underway. Others are running virtual screening efforts against the same targets. If we coordinate these efforts, we can avoid duplication and share the workload. Furthermore, there are trained biomolecular simulation scientists, who are not running projects in this area, but are willing to contribute towards ongoing efforts by running calculations on their local resources, so please let us know if you can use these resources.
Working towards solving a global crisis calls for a collaborative global effort.
The information on these pages will be monitored daily. However, if we miss anything, which we may do given the rapid pace of development, please do let us know. We are also aware that due to the urgency of the problem many papers are rapidly appearing on pre-print servers. If we provide a link to anything that is shown not to be accurate, again please do contact us. It is inevitable that mistakes will be made, but we should eliminate these when we find them.
HECBioSim and CCPBioSim teams
EPSRC, and UKRI, are committed to supporting urgent research to understand and combat Covid-19. In the area of biomolecular simulation, EPSRC supports the UK networks HECBioSim and CCP-BioSim, which are actively supporting work in this area. HPC time is available (to UK PIs) to support urgent, high impact work in this area. HECBioSim allocates time on ARCHER and other HPC resources. Both consortia can provide some support in helping to link researchers and build connections between those with appropriate expertise to maximise impact across communities in combating this global healthcare issue. CCP-BioSim and HECBioSim are also working with international collaborators to discuss sharing data and knowledge relevant to Covid-19, and to coordinate biomolecular modelling and simulation efforts in this area.
We would like to thank the EPSRC, ATOS and the JADE team for their support in providing access to computing resources