WISC_news

Our lab (PI) receive a Research Forward award for funding our development of a chemical feature-based Transformer platform to predict molecular glues! Excited to collaborate with Prof. Sharon Li (UW-Madison, CS) and Weiping Tang (UW-Madison, Pharmacy)!

Our tutorial on building non-Markovian models (qMSMs, IGME) from MD simulations for protein dynamics was published as a featured and cover article at JCP.  Please try it out on GitHub: https://github.com/xuhuihuang/GME_tutorials!

Our 2nd collaborative NIH R01 grant with Prof. Jiaoyang Jiang (PI, UW-Madison Pharmacy) and Prof. Lingjun Li (co-I) was funded. We’ll study the enzyme removing O-GlcNAc post-translational modifications. 

We welcome three new group members: Yichong Lao (1st year graduate student from Biophysics Program), Longbang Liu (1st year graduate student from Chemistry), and Kazuya Okita (a visiting student from Osaka University, Japan)!

Our IGME paper is selected as a Featured Article by JCP! It efficiently models biomolecular dynamics by employing time integrations of memory kernels and avoiding numerical instability in time-dependent memory kernels.

Our GraphVAMPnets provides an efficient way to find CVs for self-assembly. Graph embeddings ensure structures invariant to permutations and rotations, and the VAMP theory (no detailed-balance requirement) handles insufficient sampling of dissociation transitions.  This article …

Our Latent space Path Clustering (LPC) method can efficiently group parallel kinetic pathways into distinct metastable path channels. It utilizes the variational autoencoder (VAE) to learn the spatial distributions of kinetic pathways and perform path …

Our collaborative research with Prof. Jiaoyang Jiang and Prof. Lingjun Li in School of Pharmacy at UW-Madison has been funded by a new $1.65 million NIH R01 grant (PI: Jiang)! Congratulations! We look forward to …

Our collaborative research with Prof. Yongna Xing in the Oncology Department at UW-Madison has been funded by a new $1.45 million NIH R01 grant (PI: Xing)! Congratulations! We look forward to exciting collaborations on allostery …

Our group has been awarded a $1.74 million R01 grant from NIGMS to develop non-Markovian dynamic models for studying RNA polymerase dynamics! Our group’s first major funding since our transition from Hong Kong! Thanks to …