Daniel Markthaler

According to our database, Daniel Markthaler authored at least 2 papers between 2018 and 2022.

Collaborative distances:

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

2022

Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange.

Daniel Markthaler, Hamzeh Kraus, Niels Hansen

J. Comput. Aided Mol. Des., 2022

2018

Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain.

Daniel Markthaler, Hamzeh Kraus, Niels Hansen

J. Chem. Inf. Model., 2018