Dear All,
I am pleased to announce that the Amber ff15ipq-m force field for protein
mimetics <
https://aip.scitation.org/doi/10.1063/5.0019054> is now available
in AmberTools20 as update.10:
https://ambermd.org/ATPatches.php
The force field include parameters for four classes of commonly-used
artificial backbone units: chirality-reversed D-α-residues, the
Cα-methylated α-residue Aib, homologated β-residues (β3) bearing
proteinogenic side chains, and two cyclic β residues (βcyc; APC and ACPC).
Enjoy and happy holidays!
All the best,
Lillian
--
Lillian T. Chong
Associate Professor
Department of Chemistry
University of Pittsburgh
219 Parkman Avenue
Pittsburgh, PA 15260
she/her/hers
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Received on Mon Dec 21 2020 - 12:30:02 PST
