Lei Yang

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 9

Top Topics

Crystal Structure

Top Venues

Physical chemistry chemical physics : PCCP

ACS chemical neuroscience

Briefings in bioinformatics

This page only lists publications with an associated author ORCID identifier.

Publications

Yunzhen Du, Yuan Yao, Kunling Peng, Jizheng Duan, Changwei Hao, Yuan Tian, Wenshan Duan, Lei Yang, Ping Lin, Sheng Zhang
Impact of vacancy defects on the thermal conductivity of BaAgBi: a comprehensive study using molecular dynamics simulations with neural network potentials. Physical chemistry chemical physics : PCCP (2024)
Lijuan Yang, Chao Jin, Guanghui Yang, Zhitong Bing, Liang Huang, Yuzhen Niu, Lei Yang
Transformer-based deep learning method for optimizing ADMET properties of lead compounds. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Lijuan Yang, Chao Jin, Guanghui Yang, Zhitong Bing, Liang Huang, Yuzhen Niu, Lei Yang
Transformer-based deep learning method for optimizing ADMET properties of lead compounds. Physical chemistry chemical physics : PCCP (2023)
Lijuan Yang, Chao Jin, Guanghui Yang, Zhitong Bing, Liang Huang, Yuzhen Niu, Lei Yang
Transformer-based deep learning method for optimizing ADMET properties of lead compounds. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Lijuan Yang, Chao Jin, Guanghui Yang, Zhitong Bing, Liang Huang, Yuzhen Niu, Lei Yang
Transformer-based deep learning method for optimizing ADMET properties of lead compounds. Physical chemistry chemical physics : PCCP 25 (3) (2023)
An Xiaoli, Niu Yuzhen, Yang Qiong, Lei Yang, Xiaojun Yao, Zhitong Bing
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. ACS chemical neuroscience 13 (23) (2022)
Lijuan Yang, Guanghui Yang, Zhitong Bing, Yuan Tian, Liang Huang, Yuzhen Niu, Lei Yang
Accelerating the discovery of anticancer peptides targeting lung and breast cancers with the Wasserstein autoencoder model and PSO algorithm. Briefings in bioinformatics 23 (5) (2022)
Lijuan Yang, Guanghui Yang, Xiaolong Chen, Qiong Yang, Xiao-Jun Yao, Zhitong Bing, Yuzhen Niu, Liang Huang, Lei Yang
Deep Scoring Neural Network Replacing the Scoring Function Components to Improve the Performance of Structure-Based Molecular Docking. ACS chemical neuroscience 12 (12) (2021)
Lijuan Yang, Guanghui Yang, Zhitong Bing, Yuan Tian, Yuzhen Niu, Liang Huang, Lei Yang
Transformer-Based Generative Model Accelerating the Development of Novel BRAF Inhibitors. ACS omega 6 (49) (2021)