31 citations · 47 across the 6 of their papers we have counts for
6 papers
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…
Folding and Stabilization of Native-Sequence-Reversed Proteins
Yuanzhao Zhang, Jeffrey K Weber, Ruhong Zhou
Though the problem of sequence-reversed protein folding is largely unexplored, one might speculate that reversed native protein sequences should be significantly more foldable than…
Wetting and Diffusion of Water on Pristine and Strained Phosphorene
Wei Zhang, Chao Ye, Lin Bi +2
Phosphorene, a newly fabricated two-dimensional (2D) nanomaterial, have exhibited promising application prospect in biology. Nonetheless, the wetting and diffusive properties of bi…
Structural and electronic properties of uranium-encapsulated Au14 cage
Yang Gao, Xing Dai, Seung-gu Kang +6
The structural properties of the uranium-encapsulated nano-cage U@Au14 are predicted using density functional theory. The presence of the uranium atom makes the Au14 structure more…