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Development of a multipoint model for su

Development of a multipoint model for sulfur in proteins: A new parametrization scheme to reproduce high-level ab initio interaction energies

✍ F. Wennmohs; M. Schindler 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 460 KB

## Abstract To properly represent weak hydrogen bonds to sulfur in biological systems, a new multipoint model of atomic sulfur for the amino acid methionine is introduced. This is of particular importance for the description of ligand‐protein interactions. The parametrization is performed by fittin