BioExcel CoE

Introduction to QM/MM - Part 1

QM/MM with GROMACS+CP2K - Q&A 1

QM/MM with GROMACS+CP2K - Practical 1

Introduction to QM/MM - Part 2

QM/MM with GROMACS+CP2K - Q&A 2

QM/MM with GROMACS+CP2K - Practical 2

Introduction to QM/MM - Part 3

QM/MM with GROMACS+CP2K - Q&A 3

QM/MM with GROMACS+CP2K - CP2K parameters practical

QM/MM with GROMACS+CP2K - Practical 3

QM/MM with GROMACS+CP2K - Q&A 4 and wrapup

Basics of Molecular Dynamics

Basics of docking and introduction to HADDOCK

BioExcel Webinar Series #6: Optimizing cluster and simulation setup for GROMACS

SDMS18 - 04 - Standardization of file formats - part 1

Bioexcel webinar #75: VIAMD: A Software for Visual Analysis of Molecular Dynamics

BioExcel Webinar #62: Improvements in the GROMACS heterogeneous parallelization

Basis of molecular dynamics simulations - Part 2

Application of molecular dynamics simulations in the field of drug discovery

Clustering of doxorubicin and its interaction with bio-polymers (alginates)