Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2

Overview of attention for article published in Perspectives in Drug Discovery and Design, November 2017

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RT @vi_seem: First speakers @RossenApostolov @Zoecournia introduced @BioExcelCoE & @viseem. @zoecournia talked on “Computer-aided drug desi…

Today I am part of a wonderful workshop on Advanced #Biomolecular #Simulations

RT @vi_seem: First speakers @RossenApostolov @Zoecournia introduced @BioExcelCoE & @viseem. @zoecournia talked on “Computer-aided drug desi…

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