31 citations · 47 across the 6 of their papers we have counts for
3 papers · 1 filter
Ionic conductance oscillations in sub-nanometer pores probed by optoelectronic control
Fanfan Chen, Zonglin Gu, Chunxiao Zhao +6
Ionic Coulomb blockade is one of the mesoscopic effects in ion transport revealing the quantized nature of ionic charges, which is of crucial importance to our understanding of the…
Dynamics-based peptide-MHC binding optimization by a convolutional variational autoencoder: a use-case model for CASTELO
David Bell, Giacomo Domeniconi, Chih-Chieh Yang +3
An unsolved challenge in the development of antigen specific immunotherapies is determining the optimal antigens to target. Comprehension of antigen-MHC binding is paramount toward…
CASTELO: Clustered Atom Subtypes aidEd Lead Optimization -- a combined machine learning and molecular modeling method
Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang +3
Drug discovery is a multi-stage process that comprises two costly major steps: pre-clinical research and clinical trials. Among its stages, lead optimization easily consumes more t…