6 citations · 6 across the 4 of their papers we have counts for
5 papers
DyneTrion: A Spatio-temporally Coherent Generative Emulator for Protein Dynamics Across Timescales
Kaihui Cheng, Zhiqiang Cai, Peng Tu +6
Proteins function through coordinated motion across multiple spatial and temporal scales, underpinning processes such as ligand binding, allostery, and catalysis. However, accessin…
Learning Implicit Bias in Generative Spaces for Accelerating Protein Dynamics Emulation
Kaihui Cheng, Zhiqiang Cai, Wenkai Xiang +4
Generative emulators of protein dynamics produce plausible trajectories at a fraction of the cost of molecular dynamics, but they inherit their training distribution and tend to re…
Generating Samples of Stationary Distributions of Weakly Interacting Diffusion Models Without Finite Particle Truncation: A Weak Generative Approach
Zhiqiang Cai, Chengyu Liu, Xiang Zhou
Computing the stationary probability density and generating corresponding samples for the mean-field model of an infinite number of weakly interacting diffusion particles pose sign…
Dynamic PDB: A New Dataset and a SE(3) Model Extension by Integrating Dynamic Behaviors and Physical Properties in Protein Structures
Ce Liu, Jun Wang, Zhiqiang Cai +10
Despite significant progress in static protein structure collection and prediction, the dynamic behavior of proteins, one of their most vital characteristics, has been largely over…
Weak Generative Sampler to Efficiently Sample Invariant Distribution of Stochastic Differential Equation
Zhiqiang Cai, Yu Cao, Yuanfei Huang +1
Sampling invariant distributions from an Itô diffusion process presents a significant challenge in stochastic simulation. Traditional numerical solvers for stochastic differential…