Absolute free energies of binding of peptide analogs to the HIV-1 protease from molecular dynamics simulations. - Christian Bartels; Armin Widmer; Claus Ehrhardt (J. Comput. Chem., 2005)

Decrypting Integrins by Mixed-Solvent Molecular Dynamics Simulations. - Ioana M. Ilie; Claus Ehrhardt; Amedeo Caflisch; Gabriele Weitz-Schmidt (J. Chem. Inf. Model., 2023)