A virtual screening and molecular dynamics approach in search of novel antibiotic chemotypes - Tahira Noor; Daniel C. Schultz; Yuting Zhai; Hannah E. Snoke; Suyeun Noh; Gustavo Seabra; Richard E. Lee; Kwangcheol Casey Jeong; Chenglong Li; Abdul Rauf Siddiqi (PLoS ONE, 2026)