# Reliable and Accurate Prediction of Single-Residue p <i>K</i> <sub>a</sub> Values through Free Energy Perturbation Calculations

> Research article (Journal of Chemical Theory and Computation, 2022) · cited 25× · AI/ML

**Wikidata**: [openalex:W4309245536](https://www.wikidata.org/wiki/openalex:W4309245536)  
**Source**: https://4ort.xyz/entity/reliable-and-accurate-prediction-of-single-residue-p-i-k-i-sub-a-sub-values-through-free-energy-perturbation-calculation