preprint

Measuring Differences in Protein Allosteric Graphs Constructed via Molecular Dynamics Simulations
Protein allostery plays essential roles in many biological processes through long-range communication between distant sites. …
Jiale Shi, Zhongyi Wan, Renjie Zhu, Qiang Cui*
DOI
Enhancing the Simulation Accuracy of Small Organic Molecules with an Optimized Lennard-Jones Coarse-Grained Model
Developing accurate coarse-grained (CG) molecular models is crucial for building databases of complex chemical molecules and conducting …
Renjie Zhu, Tong Zhu, Ruibo Wu, Fei Xia*
DOI