The TINKER molecular modeling software package

From the Ponder lab: Our lab develops and distributes the TINKER molecular modeling software and its associated Force Field Explorer (FFE) GUI. A screenshot from FFE is shown at left. Recent research has centered on the AMOEBA polarizable atomic multipole force field. Initial application to ion solvation and peptide structure indicate that the AMOEBA potential substantially outperforms current generation models used for biomolecular simulation. AMOEBA parameters for nucleic acid systems are under active development. Additional applications involving accurate prediction of protein-ligand binding affinities and generation of high-resolution protein homology models are underway.

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