Melanie Grandits

According to our database, Melanie Grandits authored at least 3 papers between 2013 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2022

Using Jupyter Notebooks for re-training machine learning models.

Aljosa Smajic, Melanie Grandits, Gerhard F. Ecker

J. Cheminformatics, 2022

2017

Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP.

Sankalp Jain, Melanie Grandits, Lars Richter, Gerhard F. Ecker

J. Comput. Aided Mol. Des., 2017

2013

A Systematic Framework for Molecular Dynamics Simulations of Protein Post-Translational Modifications.

Drazen Petrov, Christian Margreitter, Melanie Grandits, Chris Oostenbrink, Bojan Zagrovic

PLoS Comput. Biol., 2013