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Proteins|July 22, 2014
Molecular dynamics simulations of the auxin-binding protein 1 in complex with indole-3-acetic acid and naphthalen-1-acetic acidMelanie Grandits, Chris OostenbrinkJournal of Molecular Recognition : JMR|February 24, 2015
Selectivity of cytosolic phospholipase A2 type IV toward arachidonyl phospholipidsMelanie Grandits, Chris OostenbrinkCurrent Drug Research Reviews|May 9, 2023
Ligand- and Structure-based Approaches for Transmembrane Transporter ModelingMelanie Grandits, Gerhard F EckerDrug Discovery Today|November 7, 2023
Privacy-preserving techniques for decentralized and secure machine learning in drug discoveryAljoša Smajić, Melanie Grandits, Gerhard F EckerEuropean Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences|June 25, 2018
Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoproteinSankalp Jain, Melanie Grandits, Gerhard F EckerJournal of Cheminformatics|August 13, 2022
Using Jupyter Notebooks for re-training machine learning modelsAljoša Smajić, Melanie Grandits, Gerhard F EckerJournal of Molecular Catalysis. B, Enzymatic|August 6, 2013
Calculation of substrate binding affinities for a bacterial GH78 rhamnosidase through molecular dynamics simulationsMelanie Grandits, Herbert Michlmayr, Christoph Sygmund, et al.Journal of Computer-Aided Molecular Design|May 21, 2017
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEPSankalp Jain, Melanie Grandits, Lars Richter, et al.Plos Computational Biology|July 23, 2013
A systematic framework for molecular dynamics simulations of protein post-translational modificationsDrazen Petrov, Christian Margreitter, Melanie Grandits, et al.Frontiers in Chemistry|January 31, 2020
Vienna LiverTox Workspace-A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for Regulatory AgenciesFloriane Montanari, Bernhard Knasmüller, Stefan Kohlbacher, et al.Pageof 4