Melanie Grandits

Publication Activity (10 Years)

Years Active: 2013-2022
Publications (10 Years): 2

Top Topics

Structural Model

Machine Learning Models

Classification Scheme

Top Venues

J. Cheminformatics

J. Comput. Aided Mol. Des.

PLoS Comput. Biol.

Publications

Aljosa Smajic, Melanie Grandits, Gerhard F. Ecker
Using Jupyter Notebooks for re-training machine learning models. J. Cheminformatics 14 (1) (2022)
Sankalp Jain, Melanie Grandits, Lars Richter, Gerhard F. Ecker
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP. J. Comput. Aided Mol. Des. 31 (6) (2017)
Drazen Petrov, Christian Margreitter, Melanie Grandits, Chris Oostenbrink, Bojan Zagrovic
A Systematic Framework for Molecular Dynamics Simulations of Protein Post-Translational Modifications. PLoS Comput. Biol. 9 (7) (2013)