3 papers
cs.LG2026
CryoProt: A Protein Pretraining Framework with Cross-Box Interactions on Cryo-EM Density Maps
Dan Luo, Xuan Lin, Peng Zhou +4
Despite the growing availability of cryo-electron microscopy (cryo-EM) density maps, effectively leveraging them for protein representation remains challenging. First, current meth…
cs.CL2024
Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model
Peng Zhou, Jianmin Wang, Chunyan Li +11
While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and pr…
q-bio.QM2024
MoFormer: Multi-objective Antimicrobial Peptide Generation Based on Conditional Transformer Joint Multi-modal Fusion Descriptor
Li Wang, Xiangzheng Fu, Jiahao Yang +5
Deep learning holds a big promise for optimizing existing peptides with more desirable properties, a critical step towards accelerating new drug discovery. Despite the recent emerg…