Publications

* corresponding author  ·  equal contribution

2026
TOC graphic for A Coarse-Grained Model for Small Organic Molecules with Optimized Lennard-Jones Parameters
Zhu, R., Zhu, T., Wu, R., & Xia, F.
J. Phys. Chem. B · 2026
coarse-grainedLennard-Jonessmall molecules
@article{10.1021/acs.jpcb.6c05069, title = {A Coarse-Grained Model for Small Organic Molecules with Optimized Lennard-Jones Parameters}, author = {Zhu, R. and Zhu, T. and Wu, R. and Xia, F.}, journal = {The Journal of Physical Chemistry B}, year = {2026}, doi = {10.1021/acs.jpcb.6c05069} }
TOC graphic for Measuring Differences in Protein Allosteric Graphs Constructed via Molecular Dynamics Simulations
Shi, J., Wan, Z., Zhu, R., & Cui, Q.
J. Chem. Theory Comput. · 2026 · 22(12), 6180–6195
allosteryprotein dynamicsMD simulation
@article{10.1021/acs.jctc.6c00082, title = {Measuring Differences in Protein Allosteric Graphs Constructed via Molecular Dynamics Simulations}, author = {Shi, J. and Wan, Z. and Zhu, R. and Cui, Q.}, journal = {Journal of Chemical Theory and Computation}, volume = {22}, number = {12}, pages = {6180--6195}, year = {2026}, doi = {10.1021/acs.jctc.6c00082} }
2025
TOC graphic for Coarse-Grained Simulation of Persistence Length and Twisting Dynamics of Micrometer-Scale Microtubules
Zhu, R., Zhang, Y., Zhu, T., & Xia, F.
J. Phys. Chem. Lett. · 2025
microtubulecoarse-grainedbiophysics
@article{zhu2025microtubule, title = {Coarse-Grained Simulation of Persistence Length and Twisting Dynamics of Micrometer-Scale Microtubules}, author = {Zhu, R. and Zhang, Y. and Zhu, T. and Xia, F.}, journal = {J. Phys. Chem. Lett.}, year = {2025}, doi = {10.1021/acs.jpclett.5c01226} }