Christoph Riplinger

According to our database, Christoph Riplinger authored at least 4 papers between 2017 and 2023.

Collaborative distances:

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

2023

Quantum computing in pharma: A multilayer embedding approach for near future applications.

Róbert Izsák, Christoph Riplinger, Nick S. Blunt, Bernardo de Souza, Nicole Holzmann, Ophelia Crawford, Joan Camps, Frank Neese, Patrick Schopf

J. Comput. Chem., January, 2023

2021

Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist binding.

Michael Edmund Beck, Christoph Riplinger, Frank Neese, Giovanni Bistoni

J. Comput. Chem., 2021

A binding mode hypothesis for prothioconazole binding to CYP51 derived from first principles quantum chemistry.

Michael Edmund Beck, Jacopo Negroni, Svend Matthiesen, Michael Kohnen, Christoph Riplinger

J. Comput. Aided Mol. Des., 2021

2017

Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T).

Octav Caldararu, Martin A. Olsson, Christoph Riplinger, Frank Neese, Ulf Ryde

J. Comput. Aided Mol. Des., 2017