BioExcel CoE series of educational webinars for computational biomolecular research. The series cover broad topics related to the latest development of the 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.

Webinar: High-Confidence Protein−Ligand Complex Modeling by NMR Guided Docking Enables Early Hit Optimization (2018-05-10)

BioExcel’s webinar series continue with a presentation by Andrew Proudfoot, Novartis Register Abstract Structure-based drug design is routinely used in modern day drug discovery. However, the success of this process is very much dependent upon the ability to generate protein-ligand co-structures.  While NMR and EM can be used to obtain […]

Webinar: MC_DNA: A web server for the detailed study of the structure and dynamics of DNA and chromatin fibers. (2018-04-11)

 BioExcel’s webinar series continue with a presentation by Jürgen Walther, IRB Barcelona Register Abstract MC_DNA is a new web tool for the three-dimensional simulation of free DNA andmedium-sized chromatin fibers. The program implements a Monte Carlo algorithm based on amesoscopic model, using a tetramer-dependent base-pair step model fitted to […]

Webinar: GROMACS 2018 – overview of the new features and capabilities (2018-03-27)

 BioExcel’s webinar series continue with a presentation by Mark Abraham, development manager of GROMACS Register Abstract Each new major release of GROMACS brings with it the latest in feature development, hardware support, performance enhancements, and usability improvements. In this webinar we will review and describe the major new changes, […]