BioExcel webinar series for computational biomolecular research cover broad range of topics related to the latest development of supported software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for entry level users and much more.
Justin Lemkul will present the functional form and parametrization strategy of the CHARMM force field, along with key features that can be exploited for simulations of complex systems. [...]
Charlotte Deane, head of the Oxford Protein Informatics Group, will give describe sequence and structural databases and tools developed by her group and the therapeutics research and development these enable. [...]
BioExcel’s Adam Hospital talks about using 3dRS to interactively visualize and share structures and trajectories [...]