Titratable residues that drive RND efflux: Insights from molecular simulations

R Clark, KE Newman, S Khalid - QRB discovery, 2024 - cambridge.org
The resistance–nodulation–division efflux machinery confers antimicrobial resistance to
Gram-negative bacteria by actively pumping antibiotics out of the cell. The protein complex …

DeepKa Web Server: High-Throughput Protein pKa Prediction

Z Cai, H Peng, S Sun, J He, F Luo… - Journal of Chemical …, 2024 - ACS Publications
DeepKa is a deep-learning-based protein p K a predictor proposed in our previous work. In
this study, a web server was developed that enables online protein p K a prediction driven …