TopFor: Automated Preparation of AMBER-Compatible Parameters for Noncanonical Amino Acids in Peptides
Emre Fatih Bülbül, Heshine Gnanasekar, Carene Benasolo, Sari Rasheed, Rolf Müller, Olga V. Kalinina, Kenan A. J. Bozhüyük
TopFor automates the generation of AMBER-compatible parameters for noncanonical amino acids in peptides, enabling efficient MD simulations and integration into peptide discovery workflows.
bioRxiv · Oct 11, 2026 · PreprintBioinformatics