Publications
[ Author
] Title Type Year
] Title Type Year Filters: First Letter Of Last Name is L and Author is Li, C [Clear All Filters]
. Multiscale Simulation Reveals Passive Proton Transport Through SERCA on the Microsecond Timescale. Biophys. J. 2020 ;119(5):1033-1040.
. A Quantitative Paradigm for Water Assisted Proton Transport Through Proteins and Other Confined Spaces. Proc. Nat. Acad. Sci. USA . 2021 ;118(no. 49 ):e2113141118.
. Accurate and Transferable Reactive Molecular Dynamics Models from Constrained Density Functional Theory. J. Phys. Chem B . 2021 ;125(37):10471-10480 .
. Proton Coupling and the Multiscale Kinetic Mechanism of a Peptide Transporter. Biophys. J. In Press .
. Using Machine Learning to Greatly Accelerate Path Integral Ab Initio Molecular Dynamics. J. Chem. Theory Comp. . 2022 ;18(2):599–604.
. Static and Dynamic Correlations in Water: Classical Ab Initio Molecular Dynamics Run at an Elevated Temperature May Not Capture Well Explicit Nuclear Quantum Effects at Ambient Temperature. J. Chem. Theory Comp. . 2022 ;18(4):2124–2131.