2 papers
cs.CL2026
EpiBench: Can LLMs Understand Epitopes for Antibody Drug Discovery?
Zirui Wang, Jiaqi Wang, Qinghan Wang +4
Epitopes determine where antibodies bind antigens and shape downstream therapeutic properties such as functional blockade and escape resistance, making epitope understanding centra…
physics.chem-ph2024
Molecular Dynamics and Machine Learning Unlock Possibilities in Beauty Design -- A Perspective
Yuzhi Xu, Haowei Ni, Qinhui Gao +10
Computational molecular design -- the endeavor to design molecules, with various missions, aided by machine learning and molecular dynamics approaches, has been widely applied to c…