Anita De Ruiter
Dr. Anita De Ruiter
Institute of Molecular Modeling and Simulation (MMS)
Location Muthgasse 18, 1190 Wien
Email anita.de.ruiter@boku.ac.at
Tel: +43 1 47654-89418
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Publications
Knowledge Transfer to Society
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Presentations
Year: 2019 - Advances in extended TI
Autoren: De Ruiter, A;
Event: 29th International BIOMOS Symposium on Biomolecular Simulation 2019
Year: 2016 - Extended TI: efficient prediction of Λ-derivatives at non-simulated points
Autoren: De Ruiter, A;
Event: Workshop on Free Energy Methods in Drug Design: Targeting Cancer, Boston, Massachusetts, USA
Year: 2016 - Efficient free energy calculations with extended TI
Autoren: De Ruiter, A;
Event: 26th Intl. BIOMOS Symposium on Biomolecular Simulation 2016
Year: 2015 - Extended TI: increasing efficiency by making full use of simulation data
Autoren: De Ruiter, A.;
Event: 25th Intl. BIOMOS Symposium on Biomolecular Simulation 2015
Year: 2012 - Phospholipase and Aspirin: using the distancefield to obtain the potential of mean force
Autoren: De Ruiter, A;
Event: 22nd International Biomos Symposium 2012
Year: 2012 - Efficient and accurate free energy calculations on trypsin inhibitors
Autoren: de Ruiter, A;
Event: Workshop on Free Energy Methods in Drug Design, Cambridge University 2012
Year: 2011 - Efficient and Accurate Free Energy Calculations on Trypsin Inhibitors
Autoren: de Ruiter, A.
Event: Forschung Max Planck Institut 2011
Year: 2011 - Efficient and Accurate Free Energy Calculations on Trypsin Inhibitors
Autoren: de Ruiter, A.
Event: CECAM - Workshop F 2011
Year: 2011 - Efficient and Accurate Free Energy Calculations on Trypsin Inhibitors
Autoren: de Ruiter, A.
Event: BIOMOS biomolecular software b.v. 2011