CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides. - Ya Gao 004; Jumin Lee; Iain Peter Shand Smith; Hwayoung Lee; Seonghoon Kim; Yifei Qi; Jeffery B. Klauda; Göran Widmalm; Syma Khalid; Wonpil Im (J. Chem. Inf. Model., 2021)

Systematic Approach to Parametrization of Disaccharides for the Martini 3 Coarse-Grained Force Field. - Astrid F. Brandner; Iain Peter Shand Smith; Siewert J. Marrink; Paulo C. T. Souza; Syma Khalid (J. Chem. Inf. Model., 2025)