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.
Dmitry Morozov and Mirko Paulikat present QM/MM simulation approaches for fluorescent proteins and proton dynamics in bioanalytical mass spectrometry [...]
BioExcel’s webinar series continues with a special edition featuring student speakers [...]
Three different workflows designed as a collaborative project effort from the CoE partners (NBD, IRB, BSC, KTH, MPG) are briefly presented. [...]