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HITS gGmbH – Molecular and Cellular Modeling's Projects

md-ifp icon md-ifp

MD trajectory analysis using protein-ligand Interaction Fingerprints

raspdplus icon raspdplus

Associated code and software for "RASPD+: Fast protein-ligand binding free energy prediction using simplified physicochemical features"

tauramd icon tauramd

Computation of the drug-target relative residence times from RAMD simulations

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