Lei, Jinping

DiffDec: Structure-Aware Scaffold Decoration with an End-to-End Diffusion Model

Xie, J., Chen, S., Lei, J., & Yang, Y. (2024) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 31

DiffDec: Structure-Aware Scaffold Decoration with an End-to-End Diffusion Model

Xie, J., Chen, S., Lei, J., & Yang, Y. (2023) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 31

Microsecond timescale MD simulations at the transition state of Pm HMGR predict remote allosteric residues

Quinn, T. R., Steussy, C. N., Haines, B. E., Lei, J., Wang, W., Sheong, F. K., Stauffacher, C. V., Huang, X., Norrby, P.-O., Helquist, P., et al. (2021) · Chemical Science

Protein Structure and DynamicsPhysical Organic Chemistry and Reaction Kinetics

Cited by 12