王凱麗
女 計算機應用系 講師
個人簡介🍴：2023年於中南大學獲得計算機科學與技術專業的博士學位🎻，導師為李敏教授（國家傑青）🤦🏼👨🏻🎨。2019年於華中師範大學獲得碩士學位，導師為趙蘊傑教授。自2023年加入沐鸣注册擔任講師🪙，具有計算機科學與物理學的雙重教育背景🕵🏿。研究方向是生物信息學、計算生物學、人工智能🧚🏿♂️🔛，主要在做的是基於AI（大模型）的藥物、靶標篩選以及藥物分子生成的相關研究⛸。近年來在Briefings in Bioinformatics、 Bioinformatics🏀、IEEE JBHI等生物信息學和人工智能領域國外頂級期刊發表SCI文章7篇。
研究興趣包括：
藥物-靶標相互作用預測
藥物-靶標復合物結構預測
藥物分子生成與設計
蛋白質、RNA結合位點預測
蛋白質👉🏿、RNA結構預測
** 開展的基於AI的相關研究聚焦當代生命科學與計算科學的熱點問題，對標AlphaFold2工作的貢獻🆒，擬發表高質量的科研論文（Nature Communications、Nature Methods等）。同時🥑，與國外知名專家和中南大學博士留學生有著密切的交流合作👨🏿🔧。歡迎有誌於聯合培養、出國交流以及發表高質量文章的學生與我聯系。也歡迎有興趣參與基於AI處理生物數據相關競賽的本科生聯系我。要求：誠實守信，熟悉深度學習模型🌪，有較強的編程能力。
** 更多內容請詳見個人主頁: kailiwang1.github.io
Fig. 1. Architecture of drug-target binding affinity prediction model
Fig. 2. CGraphDTA captures the non-covalent interactions
Fig. 3. Drug screening and discovery
聯系方式👨🏽🍳：
辦公地址：松江校區1號沐鸣樓253室
郵箱🧚🏼♀️：kailiwang@dhu.edu.cn
講授課程💇🏼♀️： 離散數學（2024春）
主要研究成果：
Chinese Physics B, 2017, 26(12): 128702.(SCI)
7. Zhangli Lu, Chuqi Lei, Kail Wang, Libo Qin, Jing Tang, Min Li*. DTIAM: A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms[J].2023, arXiv preprint arXiv:2312.15252, 2023.
8. Pir Masoom Shah, Kaili Wang and Min Li*. GraphVAE-DTA: Variation Graph Auto-Encoder for Drug-Target Binding Affinity Prediction and Novel Drugs Generation. RECOMB 2024, Under Review.
9. LeiSong, Huimin Zhu, Kaili Wang, Min Li*. LGGA-MPP: Local Geometry-guided Graph Attention for molecular property prediction [J]. Journal of Chemical Information and Modeling, 2023, Under Review.
10. Xiao Jia†, Xinliang Sun†,Kaili Wang, Jing Tang, Yaohang Li, Min Li*.Drug repositioning via graph contrastive learning [J]. IEEE Journal of Biomedical and Health Informatics, 2024, Major Revision.
†co-first authors *Corresponding author(s)
近期主持或參與的科研項目：
1. 項目題目: “基於深度學習的protein-ligand相互作用預測”
項目支持:中南大學研究生自主探索創新項目 (No.2020zzts144), 2 W
項目時間: 2019.12 –2020.12, 結題
角色: 主持
2.項目題目: “生物信息計算”
項目支持:國家傑出青年科學基金 (No.62225209), 400 W
項目時間: 2023.01~2027.12, 在研
角色: 參與
3. 項目題目: “高通量蛋白質組學計算的基礎理論與算法”
項目支持:國家自然科學基金重點項目 (No.61832019), 281 W
項目時間: 2019.01 – 2023.12, 在研
4. 項目題目: “生物信息學”
項目支持:國家自然科學基金重點項目 (No.61622213), 130 W
項目時間: 2017.01 – 2019.12, 結題
角色: 參與
5. 項目題目: “直接耦合分析預測 RNA 空間結構核苷酸間相互作用研究”
項目支持:國家自然科學基金青年項目 (No.11704140), 25 W
項目時間: 2018.01 – 2020.12, 結題
角色: 參與
近幾年的論著💁🏻♂️🐛、專利✋🏻：
1. 《生物信息學》教材
2. 《生物分子大數據分析》書籍
期刊審稿：Briefings in Bioinformatics, Bioinformatics, IEEE Journal of Biomedical and Health Informatics (JBHI), IEEE International Conference on Bioinformatics and Biomedicine (BIBM)
Kaili Wang
Biography:
Dr. Kaili Wang join the Faculty of School of Computer Science and Technologyat Donghua University as a lecturer in 2023. She received the Ph.D degree from Min Li's Group at School of Computer Science and Engineering in Central South University in 2023. She received the master degree from Central China Normal University in 2019, the supervision is Prof. Yunjie Zhao. She has been engaged in teaching and research with a dual educational background in Computer Science and Physics. The researches include Bioinformatics, Computational Biology, Artificial Intelligence. The main focuses are drug screening, target screening, and drug molecule generation using AI (Large Language Model). In recent years, she has published 7 SCI papers in top international journals in the fields of Bioinformatics and Artificial Intelligence, including Briefings in Bioinformatics, Bioinformatics, and IEEE JBHI, etc.
Research Interests:
1. Drug-Target Interaction Prediction
2. Drug-Target Complex Conformation Prediction
3. Drug Generation and Design
4. Protein/RNA Binding Site Prediction
5. Protein/RNA Structure Prediction
Main Courses Taught: Discrete Mathematics (2024 spring)
Address: School of Computer Science and Technology
Academic Building 1, Room 253
Donghua University
2999 North Renmin Road
Songjiang, Shanghai 201620, China
Email:kailiwang@dhu.edu.cn