Lei Yang

6PUBLICATIONS
7CO-AUTHORS
Computational physiologyBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsDeep learning
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Publications (6)

|Sep 11, 2024
Impact of vacancy defects on the thermal conductivity of BaAgBi: a comprehensive study using molecular dynamics simulations with neural network potentials.

Yunzhen Du, Yuan Yao, Kunling Peng

|Jan 04, 2023
Transformer-based deep learning method for optimizing ADMET properties of lead compounds.

Lijuan Yang, Chao Jin, Guanghui Yang

|Nov 25, 2022
Investigating the Dynamic Binding Behavior of PMX53 Cooperating with Allosteric Antagonist NDT9513727 to C5a Anaphylatoxin Chemotactic Receptor 1 through Gaussian Accelerated Molecular Dynamics and Free-Energy Perturbation Simulations.

An Xiaoli, Niu Yuzhen, Yang Qiong

|Aug 09, 2022
Accelerating the discovery of anticancer peptides targeting lung and breast cancers with the Wasserstein autoencoder model and PSO algorithm.

Lijuan Yang, Guanghui Yang, Zhitong Bing

|Dec 20, 2021
Transformer-Based Generative Model Accelerating the Development of Novel BRAF Inhibitors.

Lijuan Yang, Guanghui Yang, Zhitong Bing

|Jun 03, 2021
Deep Scoring Neural Network Replacing the Scoring Function Components to Improve the Performance of Structure-Based Molecular Docking.

Lijuan Yang, Guanghui Yang, Xiaolong Chen

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Frequent Collaborators

2 joint publications

Liang Huang

2 joint publications

Lijuan Yang

1 joint publications

Xiaojun Yao

1 joint publications

Zhitong Bing