李琰｜南开大学｜学者主页

2026

拉曼光谱仪搭建在仪器分析实验教学中的应用

李琰，丁飞，王京

《大学化学》

2026

散射光中的隐秘指纹——拉曼光谱

王京，祁雪，李琰，温志慧，冯占恒，邱晓航

《大学化学》

2026

仪器分析自主实验设计：在线固相萃取-高效液相色谱-柱后衍生测定蔬菜中痕量农药残留

李琰，刘韫滔，黄熙恩，周子易，王梓丘，王京，丁飞，南晶，唐安娜

《色谱》

2025

改进仪器分析化学实验教学：打造双语课堂，培养科研创新人才

李琰，丁飞，闫捷伦，周清扬，王哲，石轶凡，王京，唐安娜

《大学化学》

2024

授人以鱼和渔：仪器分析实验自主设计实验及思政元素融入

李琰，丁飞，王京，南晶，李一峻，邱晓航

《大学化学》

2024

仪器分析化学实验室安全管理探索与实践

李琰，丁飞，南晶，刘阳，邱晓航，王京

《实验室科学》

2024

多元混合式教学在仪器分析实验课程中的实践

王京，李琰，南晶，李一峻，邱晓航，丁飞

《大学化学》

2023

化学工业出版社教材建设的历史经验和未来建设重点

李琰，宋林青

《大学化学》

2023

仪器分析化学实验拓展与应用——离子色谱法测定生活饮用水中的阴离子

周瑶瑶，龙江爱，王颖，王茜，王瑞，王豪婧，马睿彤，檀林玉，马思齐，李琰，柳凌艳

《大学化学》

2023

国内化学类核心课程教材出版情况调研与分析

张树永，郭新华，丁里，李琰，朱亚先，郑兰荪

《大学化学》

2023

荧光法测定菠菜焯水过程中维生素B2的流失——荧光法测定维生素B2的实验拓展

黄洋祺，李誉，李常耕，朱颜，孙维嘉，范春涵，李琰，丁飞，张晓光，孔德明

《大学化学》

2023

PLANET: A Multi-Objective Graph Neural Network Model for Protein–Ligand Binding Affinity Prediction

Xiang-jun Zhang, Hao-Tian Gao, Haojie Wang, Zhihang Chen, Zhe Zhang, Xin-Chong Chen, Yan Li, Yifei Qi, Renxiao Wang

bioRxiv

DOI

2023

Drug discovery by targeting the protein–protein interactions involved in autophagy

Honggang Xiang, Mi Zhou, Yan Li, Lu Zhou, Renxiao Wang

Acta Pharmaceutica Sinica B

DOI

2023

HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials

Yan Li, Zhe Zhang, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2022

Public Data Set of Protein–Ligand Dissociation Kinetic Constants for Quantitative Structure–Kinetics Relationship Studies

Hui-Si Liu, Minyi Su, Haixia Lin, Renxiao Wang, Yan Li

ACS Omega

DOI

2021

Structure-Based Optimization of 3-Phenyl-N-(2-(3-phenylureido)ethyl)thiophene-2-sulfonamide Derivatives as Selective Mcl-1 Inhibitors.

Yan Li, Wenjie Fan, Qineng Gong, Jie Tian, Mi Zhou, Qing Li, Laura B Uwituze, Zhi-Chao Zhang, R. Hong, Renxiao Wang

Journal of Medicinal Chemistry

DOI

2021

Optimization of Beclin 1-Targeting Stapled Peptides by Staple Scanning Leads to Enhanced Antiproliferative Potency in Cancer Cells.

Qifan Yang, Xian-Xiu Qiu, Xiaozhe Zhang, Ying-Wah Yu, Na Li, Xing Wei, Guoqin Feng, Yan Li, Yan-Xiang Zhao, Renxiao Wang

Journal of Medicinal Chemistry

DOI

2021

Analysis of the Binding Sites on BAX and the Mechanism of BAX Activators through Extensive Molecular Dynamics Simulations

Guoqin Feng, Xiang-jun Zhang, Yan Li, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2020

Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?

Minyi Su, Guoqin Feng, Zhi-Hai Liu, Yan Li, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2020

Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation

Yan Li, Ying-Duo Gao, M. Holloway, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2020

Synthesis of (1,3,4-thiadiazol-2-yl)-acrylamide derivatives as potential antitumor agents against acute leukemia cells.

Qing Li, Ran An, Yaochun Xu, Mi Zhou, Yan Li, Chun Guo, Renxiao Wang

Bioorganic & Medicinal Chemistry Letters

DOI

2019

A Fragment-Based Computational Method for Designing GPCR Ligands.

Yan Li, Yaping Sun, Yunpeng Song, Dong-Cheng Dai, Zhi-Xiong Zhao, Qing Zhang, W. Zhong, Liaoyuan A. Hu, Ying-Li Ma, Xun Li, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2019

Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size

Qifan Yang, Minyi Su, Yan Li, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2018

Comparative Assessment of Scoring Functions: The CASF-2016 Update

Minyi Su, Qifan Yang, Yu Du, Guoqin Feng, Zhi-Hai Liu, Yan Li, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2018

Development of a new benchmark for assessing the scoring functions applicable to protein-protein interactions.

Li Han, Qifan Yang, Zhi-Hai Liu, Yan Li, Renxiao Wang

Future Medicinal Chemistry

DOI

2018

Targeting the potent Beclin 1–UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking

Shuai Wu, Yunjiao He, Xian-Xiu Qiu, Wen-Chao Yang, Wen-Chao Liu, Xiaohua Li, Yan Li, Han-Ming Shen, Renxiao Wang, Z. Yue, Yan-Xiang Zhao

Proceedings of the National Academy of Sciences of the United States of America

DOI

2018

Assessing protein–ligand interaction scoring functions with the CASF-2013 benchmark

Yan Li, Minyi Su, Zhi-Hai Liu, Jie Li, Jie Liu, Li Han, Renxiao Wang

Nature Protocols

DOI

2017

Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints

Jie Liu, Minyi Su, Zhi-Hai Liu, Jie Li, Yan Li, Renxiao Wang

BMC Bioinformatics

DOI

2016

5S现场管理法在无机分析化学实验中的应用

李祥，豆静茹，李琰，王丽萍

《实验室研究与探索》

2016

AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization

Yan Li, Zhi-Xiong Zhao, Zhi-Hai Liu, Minyi Su, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2015

甲醛法测定铵盐中氮含量实验的改进

刘越，李琰，陈珮豪，李晓霜，冯一梅，于晓东

《大学化学》

2015

Cross‐Mapping of Protein – Ligand Binding Data Between ChEMBL and PDBbind

Zhi-Hai Liu, Jie Li, Jie Liu, Yuchen Liu, Wei Nie, Li Han, Yan Li, Renxiao Wang

Molecular Informatics

DOI

2015

Open access databases in the field of drug discovery

Zhi-Hai Liu, Jie Li, Li Han, Yan Li, Jie Liu, Wei Nie, Yuchen Liu, Renxiao Wang

DOI

2015

PDB-wide collection of binding data: current status of the PDBbind database

Zhi-Hai Liu, Yan Li, Li Han, Jie Li, Jie Liu, Zhi-Xiong Zhao, Wei Nie, Yuchen Liu, Renxiao Wang

Bioinform.

DOI

2014

Identification of small molecule sphingomyelin synthase inhibitors.

Xiao-Dong Deng, F. Lin, Ya Zhang, Yan Li, Lu Zhou, Bin Lou, Yue Li, Ji-Bin Dong, Ting-bo Ding, Xian-Cheng Jiang, Renxiao Wang, Deyong Ye

European journal of medicinal chemistry

DOI

2014

Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set

Yan Li, Zhi-Hai Liu, Jie Li, Li Han, Jie Liu, Zhi-Xiong Zhao, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2014

Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results

Yan Li, Li Han, Zhi-Hai Liu, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2014

Development of 3‐Phenyl‐N‐(2‐(3‐phenylureido)ethyl)‐thiophene‐2‐sulfonamide Compounds as Inhibitors of Antiapoptotic Bcl‐2 Family Proteins

Cheng-Wen Yang, Sha Chen, Mi Zhou, Yan Li, Yang-Feng Li, Zheng-Xi Zhang, Zhen Liu, Qian Ba, Jingquan Li, Hui Wang, Xiao-Mei Yan, D. Ma, Renxiao Wang

ChemMedChem

DOI

2013

Characterization of the Stereochemical Structures of 2H‐Thiazolo[3,2‐a]pyrimidine Compounds and Their Binding Affinities for Anti‐apoptotic Bcl‐2 Family Proteins

Yaochun Xu, Mi Zhou, Yan Li, Chengke Li, Zheng-Xi Zhang, Biao Yu, Renxiao Wang

ChemMedChem

DOI

2013

Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling

Zhi-Xiong Zhao, Zheng-Xi Zhang, Yan Li, Mi Zhou, Xun Li, Biao Yu, Renxiao Wang

ChemMedChem

DOI

2013

Back Cover: Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling (ChemMedChem 8/2013)

Zhi-Xiong Zhao, Zheng-Xi Zhang, Yan Li, Mi Zhou, Xun Li, Biao Yu, Renxiao Wang

DOI

2013

Mining the Characteristic Interaction Patterns on Protein-Protein Binding Interfaces

Yan Li, Zhi-Hai Liu, Li Han, Chengke Li, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2013

De Novo Design, Synthesis and Evaluation of Benzylpiperazine Derivatives as Highly Selective Binders of Mcl‐1

Xiao Ding, Yan Li, Li Lv, Mi Zhou, Li Han, Zheng-Xi Zhang, Qian Ba, Jingquan Li, Hui Wang, Hong Liu, Renxiao Wang

ChemMedChem

DOI

2012

Phenyl azoles ring substituted amide compounds and its production and use

Renxiao Wang, Hui Wang, Da-Wei Ma, Cheng-Wen Yang, Zhen Liu, Qian Ba, Jingquan Li, Zheng-Xi Zhang, Mi Zhou, Yan Li

2012

Phenyl thiophene sulfonamides and preparation and use

Renxiao Wang, Hui Wang, Da-Wei Ma, Cheng-Wen Yang, Zhen Liu, Zheng-Xi Zhang, Mi Zhou, Qian Ba, Jingquan Li, Yan Li

2012

Phenylthiophene sulfonamides, and preparation methods and uses thereof

Renxiao Wang, Hui Wang, Da-Wei Ma, Cheng-Wen Yang, Zhen Liu, Zheng-Xi Zhang, Mi Zhou, Qian Ba, Jing-Quan Li, Yan Li

2012

Theoretical Analysis of Fas Ligand‐Induced Apoptosis with an Ordinary Differential Equation Model

Zhi-Min Shi, Yan Li, Zhi-Hai Liu, J. Mi, Renxiao Wang

Molecular Informatics

DOI

2012

An Empirical Additive Model for Aqueous Solubility Computation: Success and Limitations

Bao-Gen Duan, Yan Li, Jie Li, Tiejun Cheng, Renxiao Wang

DOI

2011

开展容量法与重量法测定钙的化学分析综合实验

穆玉海，李琰，刘越

《实验室科学》

2011

Synthesis and anti-tumor activities of N'-benzylidene-2-(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazone derivatives.

J.-F. Lou, Zhen Liu, Yan Li, Mi Zhou, Zheng-Xi Zhang, Shu-sheng Zheng, Renxiao Wang, Jian Li

Bioorganic & Medicinal Chemistry Letters

DOI

2011

Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful

Yan Li, Yuan Zhao, Zhi-Hai Liu, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2011

Discovery and Development of Thiazolo[3,2‐a]pyrimidinone Derivatives as General Inhibitors of Bcl‐2 Family Proteins

Bing-Cheng Zhou, Xun Li, Yan Li, Yaochun Xu, Zheng-Xi Zhang, Mi Zhou, Xing-Long Zhang, Zhen Liu, Jia-Hai Zhou, Chunyan Cao, Biao Yu, Renxiao Wang

ChemMedChem

DOI

2010

Evaluation of the performance of four molecular docking programs on a diverse set of protein‐ligand complexes

Xun Li, Yan Li, Tiejun Cheng, Zhi-Hai Liu, Renxiao Wang

Journal of Computational Chemistry

DOI

2010

A Statistical Survey on the Binding Constants of Covalently Bound Protein–Ligand Complexes

Xun Li, Zhi-Hai Liu, Yan Li, Jie Li, Jia-Jie Li, Renxiao Wang

Molecular Informatics

DOI

2010

Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes

Yan Li, Zhi-Hai Liu, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2009

Comparative Assessment of Scoring Functions on a Diverse Test Set

Tiejun Cheng, Xun Li, Yan Li, Zhi-Hai Liu, Renxiao Wang

Journal of Chemical Information and Modeling

DOI

2009

Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1.

Yan Li, Bing-Cheng Zhou, Renxiao Wang

Journal of Molecular Graphics and Modelling

DOI

2007

Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge

Tiejun Cheng, Yuan Zhao, Xun Li, F. Lin, Yong Xu, Xing-Long Zhang, Yan Li, Renxiao Wang, L. Lai

Journal of Chemical Information and Modeling

DOI

2005

Interfacing Capillary Electrophoresis and Electrothermal Atomic Absorption Spectroscopy To Study Metal Speciation and Metal–Biomolecule Interactions

Yan Li, Xiu‐Ping Yan, Yan Jiang

Angewandte Chemie

DOI

精选作品

期刊论文

拉曼光谱仪搭建在仪器分析实验教学中的应用

散射光中的隐秘指纹——拉曼光谱

仪器分析自主实验设计：在线固相萃取-高效液相色谱-柱后衍生测定蔬菜中痕量农药残留

改进仪器分析化学实验教学：打造双语课堂，培养科研创新人才

授人以鱼和渔：仪器分析实验自主设计实验及思政元素融入

仪器分析化学实验室安全管理探索与实践

多元混合式教学在仪器分析实验课程中的实践

化学工业出版社教材建设的历史经验和未来建设重点

仪器分析化学实验拓展与应用——离子色谱法测定生活饮用水中的阴离子

国内化学类核心课程教材出版情况调研与分析

荧光法测定菠菜焯水过程中维生素B2的流失——荧光法测定维生素B2的实验拓展

PLANET: A Multi-Objective Graph Neural Network Model for Protein–Ligand Binding Affinity Prediction

Drug discovery by targeting the protein–protein interactions involved in autophagy

HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials

Public Data Set of Protein–Ligand Dissociation Kinetic Constants for Quantitative Structure–Kinetics Relationship Studies

Structure-Based Optimization of 3-Phenyl-N-(2-(3-phenylureido)ethyl)thiophene-2-sulfonamide Derivatives as Selective Mcl-1 Inhibitors.

Optimization of Beclin 1-Targeting Stapled Peptides by Staple Scanning Leads to Enhanced Antiproliferative Potency in Cancer Cells.

Analysis of the Binding Sites on BAX and the Mechanism of BAX Activators through Extensive Molecular Dynamics Simulations

Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?

Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation

Synthesis of (1,3,4-thiadiazol-2-yl)-acrylamide derivatives as potential antitumor agents against acute leukemia cells.

A Fragment-Based Computational Method for Designing GPCR Ligands.

Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size

Comparative Assessment of Scoring Functions: The CASF-2016 Update

Development of a new benchmark for assessing the scoring functions applicable to protein-protein interactions.

Targeting the potent Beclin 1–UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking

Assessing protein–ligand interaction scoring functions with the CASF-2013 benchmark

Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints

5S现场管理法在无机分析化学实验中的应用

AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization

甲醛法测定铵盐中氮含量实验的改进

Cross‐Mapping of Protein – Ligand Binding Data Between ChEMBL and PDBbind

Open access databases in the field of drug discovery

PDB-wide collection of binding data: current status of the PDBbind database

Identification of small molecule sphingomyelin synthase inhibitors.

Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set

Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results

Development of 3‐Phenyl‐N‐(2‐(3‐phenylureido)ethyl)‐thiophene‐2‐sulfonamide Compounds as Inhibitors of Antiapoptotic Bcl‐2 Family Proteins

Characterization of the Stereochemical Structures of 2H‐Thiazolo[3,2‐a]pyrimidine Compounds and Their Binding Affinities for Anti‐apoptotic Bcl‐2 Family Proteins

Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling

Back Cover: Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling (ChemMedChem 8/2013)

Mining the Characteristic Interaction Patterns on Protein-Protein Binding Interfaces

De Novo Design, Synthesis and Evaluation of Benzylpiperazine Derivatives as Highly Selective Binders of Mcl‐1

Phenyl azoles ring substituted amide compounds and its production and use

Phenyl thiophene sulfonamides and preparation and use

Phenylthiophene sulfonamides, and preparation methods and uses thereof

Theoretical Analysis of Fas Ligand‐Induced Apoptosis with an Ordinary Differential Equation Model

An Empirical Additive Model for Aqueous Solubility Computation: Success and Limitations

开展容量法与重量法测定钙的化学分析综合实验

Synthesis and anti-tumor activities of N'-benzylidene-2-(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazone derivatives.

Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful

Discovery and Development of Thiazolo[3,2‐a]pyrimidinone Derivatives as General Inhibitors of Bcl‐2 Family Proteins

Evaluation of the performance of four molecular docking programs on a diverse set of protein‐ligand complexes

A Statistical Survey on the Binding Constants of Covalently Bound Protein–Ligand Complexes

Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes

Comparative Assessment of Scoring Functions on a Diverse Test Set

Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1.

Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge

Interfacing Capillary Electrophoresis and Electrothermal Atomic Absorption Spectroscopy To Study Metal Speciation and Metal–Biomolecule Interactions