Development and Validation of Fluorinated Amino Acid Parameters for use with the AMBER ff15ipq Protein Force Field
D. Yang, A. Gronenborn, L. Chong
The paper develops and validates force field parameters for fluorinated amino acids in the AMBER ff15ipq force field, enabling accurate MD simulations of fluorinated proteins and validating them with experimental NMR data.
bioRxiv · Jan 6, 2022 · PreprintBiophysics