Talks and presentations

Two different Enhanced Sampling approaches to overcome timescale sampling limitations: accelerated MD and steeredMD

April 16, 2021

Talk, MSc Bioinformatics - UEM, Online

MacA: a molecular valve within the MacABTolC efflux pump

January 29, 2021

Talk, IQTC Virtual Meeting 2021, Online

IQTC Virtual Meeting 2021

Bioexcel-2 Tutorial: Practical introduction to QM/MM using CP2K for biomolecular modelling

October 13, 2020

Tutorial, BioExcel-2, Online

More information here

Bioexcel-2 Tutorial: Preparing to run biomolecular QM/MM simulations with CP2K using AmberTools Online

June 09, 2020

Tutorial, BioExcel-2, Online

More information here

Binding of M2 channel inhibitors with enhanced sampling methods

July 05, 2014

Talk, XXX Annual Meeting of the Reference Network of R+D+I on theoretical and Computational Chemistry, Barcelona, Spain

XXX Annual Meeting of the Reference Network of R+D+I on theoretical and Computational Chemistry