Search Results for author: Lurong Pan

Found 5 papers, 1 papers with code

Sequence-based deep learning antibody design for in silico antibody affinity maturation

no code implementations21 Feb 2021 Yue Kang, Dawei Leng, Jinjiang Guo, Lurong Pan

Traditional in vitro approaches use hybridoma or phage display for candidate selection, and surface plasmon resonance (SPR) for evaluation, while in silico computational approaches aim to reduce the high cost and improve efficiency by incorporating mathematical algorithms and computational processing power in the design process.

Computational Efficiency Drug Discovery +1

ParaVS: A Simple, Fast, Efficient and Flexible Graph Neural Network Framework for Structure-Based Virtual Screening

no code implementations8 Feb 2021 Junfeng Wu, Dawei Leng, Lurong Pan

However, the docking process can hardly be computationally efficient and accurate simultaneously because classic mechanics scoring function is used to approximate, but hardly reach, the quantum mechanics precision in this method.

Molecular Docking

Heterogeneous Graph based Deep Learning for Biomedical Network Link Prediction

no code implementations28 Jan 2021 Jinjiang Guo, Jie Li, Dawei Leng, Lurong Pan

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data.

Link Prediction

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