Publications

Full publication list is available at Google scholar

Selected publications

PKAD-R: Curated, Redesigned and Expanded Database of Experimental pKa Values in Proteins, AY Chen, SK Panday, K Ri, E Alexov, BR Brooks, A Damjanovic, Journal of Computational Biophysics and Chemistry, 24 (9), 1189-1203, 2025

Ion channel selectivity through ion-modulated changes of selectivity filter pKa values,  AY Chen, BR Brooks, A Damjanovic, Proceedings of the National Academy of Sciences, 120 (26) e2220343120, 2023

Protein pKa Prediction by Tree-Based Machine Learning AY Chen, J Lee, A Damjanovic, BR Brooks
Journal of Chemical Theory and Computation, 18 (4), 2673-2686, 2022

Determinants of conductance of a bacterial voltage-gated sodium channel  AY Chen, BR Brooks, A Damjanovic, Biophysical Journal 120 (15), 3050-3069

Reservoir pH replica exchange  A Damjanovic, BT Miller, A Okur, BR Brooks
The Journal of Chemical Physics 149 (7), 072321, 2018

Constant pH molecular dynamics in explicit solvent with enveloping distribution sampling and Hamiltonian exchange, J Lee, BT Miller, A Damjanovic, BR Brooks
Journal of chemical theory and computation 10 (7), 2738-2750 (2014)