Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2
Abstract We present the performance of HADDOCK, our information-driven docking [...]
New Software Release: COMPSs 2.3
We are proud to announce the new release 2.3 of [...]
Defining distance restraints in HADDOCK
Abstract In a recent issue of Nature Protocols, Orbán-Németh et [...]
GROMACS 2018.2 is available
The official release of GROMACS 2018.2 is available! This release [...]
Webinar: BioSimSpace – filling the gaps between molecular simulation codes (2018-06-27)
BioExcel’s webinar series continue with a presentation by Chris [...]
Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations
Abstract Despite a large number of antiretroviral drugs targeting HIV-1 [...]
