Daniel Markthaler

Publication Activity (10 Years)

Years Active: 2018-2022
Publications (10 Years): 2

Top Topics

Stereo Matching

Belief Propagation

Bethe Free Energy

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Daniel Markthaler, Hamzeh Kraus, Niels Hansen
Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange. J. Comput. Aided Mol. Des. 36 (1) (2022)
Daniel Markthaler, Hamzeh Kraus, Niels Hansen
Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain. J. Chem. Inf. Model. 58 (11) (2018)