孔韧｜江苏理工学院｜学者主页

2026

Deep Learning-Based Protein Structure Prediction Integrating Experimental Constraints: Methods and Applications—A Review

Chenghui Yang, Shenhuan Ni, Yutao Liu, Yun-Cong Zhang, Yiyan Shi, Anthony Qian, Ren Kong, Shan Chang

Current Bioinformatics

DOI

2026

Natural Product-Based Virtual Screening Identifies Potential Inhibitors of Feline Coronavirus 3CLpro.

Zun-Yun Jiang, Hongyi Chen, Wang Xiong, Wei-Hua Zhang, Yingguang Zhu, Ren Kong

Current Topics in Medicinal Chemistry

DOI

2026

Design, synthesis, and biological evaluation of a potent and selective AURKB degrader

Lianhua Piao, Yangyang Su, Ying Gao, Qihui Li, Kejia Yan, Zhou Chen, Yanong Daniel Wang, Jie Zhou, Yang Gao, Jie Liu, Shan Chang, Ren Kong

European Journal of Medicinal Chemistry

DOI

2025

基于N-gram相似度增强蛋白质肽段组装的方法——面向质谱数据分析

邵赟，倪申环，杨程珲，庞明威，孔韧，常珊

《电脑知识与技术》

DOI

2025

Ligand Binding Prediction on Pharmaceutical and Nucleic Acid Targets by the CoDock Group in CASP16

Ren Kong, Zun-Yun Jiang, Xufeng Lu, Liangxu Xie, Shan Chang

Proteins: Structure, Function, and Bioinformatics

DOI

2025

GTpick: A deep neural network for Cryo-EM particle detection

Shenhuan Ni, Chenghui Yang, Yu-Tao Liu, Yun-Cong Zhang, Yiyan Shi, Anthony Qian, Ren Kong, Shan Chang

Computational and Structural Biotechnology Journal

DOI

2025

Research status of small molecule inhibitors, probes, and degraders of NSDs: a comprehensive review.

Zun-Yun Jiang, Hongyi Chen, Lian-Hua Piao, Shan Chang, Yingguang Zhu, Ren Kong

Future Medicinal Chemistry

DOI

2025

Discovery and Functional Characterization of a Recombinant Fragment of Human Collagen Type XVII.

Lian-Hua Piao, Jiajia Li, Xiaojing Li, Yangyang Su, Xiaofeng Yuan, Shan Chang, Xinyi Cheng, Sheng-Wei Fu, Ren Kong

Journal of Agricultural and Food Chemistry

DOI

2025

E3Docker: a docking server for potential E3 binder discovery

Kejia Yan, Wangqiu He, Mingwei Pang, Xufeng Lu, Zhou Chen, Lian-Hua Piao, Han Zhang, Yu Wang, Shan Chang, Ren Kong

Nucleic Acids Research

DOI

2025

The Applications of Computational Tools in PROTAC Development.

Wangqiu He, Kejia Yan, Zhou Chen, Lian-Hua Piao, Shan Chang, Ren Kong

Current Topics in Medicinal Chemistry

DOI

2025

Identifying Natural Products as Feline Coronavirus Mpro Inhibitors by Structural-Based Virtual Screening and Enzyme-Based Assays

Zun-Yun Jiang, Lian-Hua Piao, Changyi Ren, Wei-Hua Zhang, Yingguang Zhu, Ren Kong

ACS Omega

DOI

2025

Targeted degradation of EGFR 19Del by PROTACs suppresses tumor growth in non-small-cell lung cancer

Lian-Hua Piao, Ying Gao, Yangyang Su, Qihui Li, Xiaofeng Yuan, Wangqiu He, Wanzhou Zhao, Janne Kulpakko, Pei-Chieng Cha, Shan Chang, Ren Kong

Frontiers in Pharmacology

DOI

2025

Correction to "Discovery and Functional Characterization of a Recombinant Fragment of Human Collagen Type XVII".

Lian-Hua Piao, Jiajia Li, Xiaojing Li, Yangyang Su, Xiaofeng Yuan, Shan Chang, Xinyi Cheng, Sheng-Wei Fu, Ren Kong

Journal of Agricultural and Food Chemistry

DOI

2025

Identify natural compounds as novel phosphodiesterase-2A inhibitors

Chen Zhang, Guo-Qiang Song, Wanhui Di, Ying Gao, Shan Chang, Zhou Chen, Long Tang, Ren Kong

Journal of Biomolecular Structure and Dynamics

DOI

2025

Applications and Prospects of Artificial Intelligence in Proteomics Via Mass Spectrometry: A Review.

Yun Shao, Chenghui Yang, Shenhuan Ni, Mingwei Pang, Xiao-Jie Liu, Ren Kong, Shan Chang

Current protein and peptide science

DOI

2024

计算模型在化合物毒性预测方面的应用及展望

许志旺，何王秋，孔韧

《数智技术研究与应用》

2024

Discovery of Novel Acethydrazide-Containing Flavonol Derivatives as Potential Antifungal Agents.

Hongyi Chen, Zun-Yun Jiang, He Tong, Ziyun Mai, Ren Kong, Wei-Hua Zhang, Ming-Zhi Zhang, Kang Chen, Yingguang Zhu

Journal of Agricultural and Food Chemistry

DOI

2024

PKCα inhibitors promote breast cancer immune evasion by maintaining PD-L1 stability

Jiao-Jiao Yu, Yujin Xiang, Yu-Zhen Gao, Shan Chang, Ren Kong, Xiao-Xi Lv, Jin-Mei Yu, Yunjie Jin, Chen-Xi Li, Yi-Ran Ma, Zhen-he Wang, Ji-Chao Zhou, Hongyu Yuan, Shuang Shang, F. Hua, Xiaowei Zhang, Bing Cui, Ping-Ping Li

Acta Pharmaceutica Sinica B

DOI

2024

Status and Prospects of Research on Deep Learning-based De Novo Generation of Drug Molecules.

Huanghao Shi, Zhichao Wang, Litao Zhou, Zhi-Wang Xu, Liangxu Xie, Ren Kong, Shan Chang

Current Computer - Aided Drug Design

DOI

2024

Discovery of potent small molecule inhibitors of histone lysine methyltransferase NSDs.

Lian-Hua Piao, Ying Gao, Xiao-Shuang Xu, Yangyang Su, Ya-Nong Wang, Jie Zhou, Yang Gao, Jianfeng Fang, Qihui Li, Shan Chang, Ren Kong

European journal of medicinal chemistry

DOI

2023

基于体外药效学结合分子对接技术研究穿山龙抗心肌缺血的作用机制

杨小芳，孔韧，权建野，袁博，闫寒，卜伟

《现代药物与临床》

2023

机器学习预测化合物的雌雄激素受体活性

胡帅，孔韧，谢良旭

《数智技术研究与应用》

2023

计算机模拟技术在SARS-CoV-2病毒分子机制研究中的应用

刘凯，许志旺，何王秋，常珊，孔韧

《数智技术研究与应用》

2023

序列组装在蛋白质测序技术中的方法

陆翼，葛成，徐晴，蔡标，孔韧，常珊

《数智技术研究与应用》

2023

CoDock-Ligand: combined template-based docking and CNN-based scoring in ligand binding prediction

Mingwei Pang, Wangqiu He, Xufeng Lu, Yuting She, Liangxu Xie, Ren Kong, Shan Chang

BMC Bioinformatics

DOI

2023

Impact of AlphaFold on Structure Prediction of Protein Complexes: The CASP15-CAPRI Experiment

M. Lensink, G. Brysbaert, Nessim Raouraoua, Paul A. Bates, Marco Giulini, Rodrigo V. Honorato, Charlotte van Noort, João M. C. Teixeira, A. Bonvin, Ren Kong, Hang Shi, Xufeng Lu, Shan Chang, Jian Liu, Zhi-Ye Guo, Xiao Chen, Alex Morehead, Rajashree Roy, Tianqi Wu, Nabin Giri, Farhan Quadir, Chen Chen, Jian-Lin Cheng, C. D. Del Carpio, Eichiro Ichiishi, L. A. Rodríguez-Lumbreras, J. Fernández-Recio, Ameya Harmalkar, Lee-Shin Chu, Sam Canner, Rituparna Smanta, Jeffrey J. Gray, Hao Li, Peicong Lin, Jiahua He, Huanyu Tao, Sheng-Qiang Huang, Jorge Roel‐Touris, Brian Jiménez-García, Charles W Christoffer, Anika Jain, Yuki Kagaya, Harini Kannan, Tsukasa Nakamura, Genki Terashi, Jacob Verburgt, Yuanyuan Zhang, Zi-Cong Zhang, Hayato Fujuta, M. Sekijima, Daisuke Kihara, Omeir Khan, S. Kotelnikov, Usman Ghani, D. Padhorny, Dmitri Beglov, S. Vajda, D. Kozakov, S. Negi, Tiziana Ricciardelli, Didier Barradas-Bautista, Zhen Cao, Mohit Chawla, Luigi Cavallo, R. Oliva, Rui Yin, Melyssa Cheung, Johnathan D. Guest, Jessica Lee, Brian G. Pierce, Ben Shor, Tomer Cohen, Matan Halfon, D. Schneidman-Duhovny, Shaowen Zhu, Rujie Yin, Yuan-Fei Sun, Yang Shen, M. Maszota-Zieleniak, K. Bojarski, E. Lubecka, M. Marcisz, Annemarie Danielsson, Lukasz J. Dziadek, Margrethe Gaardløs, A. Giełdoń, A. Liwo, S. Samsonov, R. Ślusarz, Karolina Zieba, A. Sieradzan, C. Czaplewski, Shinpei Kobayashi, Yuta Miyakawa, Yasuomi Kiyota, Mayuko Takeda-Shitaka, K. Olechnovič, Lukas Valančauskas, J. Dapkūnas, Č. Venclovas, B. Wallner, Lin Yang, Chengyu Hou, Xiaodong He, Shuai Guo, Shenda Jiang, Xiaoliang Ma, R. Duan, Liming Qui, Xian-Jin Xu, Xiaoqin Zou, S. Velankar, S. Wodak

Proteins: Structure, Function, and Bioinformatics

DOI

2023

Antibody sequences assembly method based on weighted de Bruijn graph.

Yi Lu, Cheng Ge, Biao Cai, Qing Xu, Ren Kong, Shan Chang

Mathematical biosciences and engineering : MBE

DOI

2023

nCoVDock2: a docking server to predict the binding modes between COVID-19 targets and its potential ligands

Kai Liu, Xufeng Lu, Hang Shi, Xiao-Jun Xu, Ren Kong, Shan Chang

Nucleic Acids Res.

DOI

2023

Generating new protein sequences by using dense network and attention mechanism.

Feng Wang, Xiaochen Feng, Ren Kong, Shan Chang

Mathematical biosciences and engineering : MBE

DOI

2023

Docking guided phase display to develop fusion protein with novel scFv and alkaline phosphatase for one-step ELISA salbutamol detection

Shuai Hu, Guangbo Yang, Zhou Chen, Qiuye Li, Bin Liu, Ming-Jian Liu, Dawei Zhang, Shan Chang, Ren Kong

Frontiers in Microbiology

DOI

2023

NLRP6 potentiates PI3K/AKT signalling by promoting autophagic degradation of p85α to drive tumorigenesis

Feng Zhi, Bo-wen Li, Chuanxia Zhang, Fan Xia, Rong Wang, Weihong Xie, Sihui Cai, Dawei Zhang, Ren Kong, Yiqiao Hu, Yilin Yang, Ya Peng, Jun Cui

Nature Communications

DOI

2022

蛋白质分子机器结构的特性分析及去折叠研究

张莉莉，蒋益锋，谢良旭，孔韧，常珊

《数据采集与处理》

2022

基于Transformer网络的抗癌肽的预测

蔡标，葛成，徐晴，陆翼，孔韧，常珊

《数智技术研究与应用》

2022

Delineating the activation mechanism and conformational landscape of a class B G protein-coupled receptor glucagon receptor

Ying Wang, Ming-Yu Li, Wen-Qi Liang, Xinying Shi, Ji-Gang Fan, Ren Kong, Yaqin Liu, Jian Zhang, Ting Chen, Shao-Yong Lu

Computational and Structural Biotechnology Journal

DOI

2022

Computational elucidation of allosteric communication in proteins for allosteric drug design.

D. Ni, Yaqin Liu, Ren Kong, Zhengtian Yu, Shao-Yong Lu, Jian Zhang

Drug Discovery Today

DOI

2022

DePS: An improved deep learning model for de novo peptide sequencing

Cheng Ge, Yi Lu, Jia Qu, Liangxu Xie, Feng Wang, Hong Zhang, Ren Kong, Shan Chang

arXiv.org

DOI

2022

Explaining and Predicting Allostery with Allosteric Database and Modern Analytical Techniques.

Jinyin Zha, Ming-Yu Li, Ren Kong, Shao-Yong Lu, Jian Zhang

Journal of Molecular Biology

DOI

2022

ER/AR Multi-Conformational Docking Server: A Tool for Discovering and Studying Estrogen and Androgen Receptor Modulators

Feng Wang, Shuai Hu, De-Qing Ma, Qiuye Li, Hong-Cheng Li, Jiazhen Liang, Shan Chang, Ren Kong

Frontiers in Pharmacology

DOI

2021

基于新型冠状病毒SARS-CoV-2主蛋白酶结构的小分子抑制剂虚拟筛选

徐浩，薛瑞，李娟，李波，陈舟，朴莲花，常珊，孔韧

《江苏理工学院学报》

DOI

2021

Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment

M. Lensink, G. Brysbaert, Théo Mauri, Nurul Nadzirin, S. Velankar, Raphael A. G. Chaleil, Tereza Clarence, P. Bates, Ren Kong, Bin Liu, Guangbo Yang, Ming Liu, Hang Shi, Xufeng Lu, Shan Chang, Rajashree Roy, Farhan Quadir, Jian Liu, Jian-Lin Cheng, Anna Antoniak, C. Czaplewski, A. Giełdoń, Mateusz Kogut, A. Lipska, A. Liwo, E. Lubecka, M. Maszota-Zieleniak, A. Sieradzan, R. Ślusarz, P. Wesołowski, Karolina Zieba, C. A. Del Carpio Munoz, E. Ichiishi, Ameya Harmalkar, Jeffrey J. Gray, A. Bonvin, Francesco Ambrosetti, R. Honorato, Z. Jandova, Brian Jiménez-García, Panagiotis I. Koukos, S. V. van Keulen, Charlotte van Noort, M. Réau, Jorge Roel‐Touris, S. Kotelnikov, D. Padhorny, Kathryn A. Porter, Andrey Alekseenko, Mikhail Ignatov, Israel T. Desta, Ryota Ashizawa, Zhuyezi Sun, Usman Ghani, Nasser Hashemi, S. Vajda, D. Kozakov, Mireia Rosell, L. A. Rodríguez-Lumbreras, J. Fernández-Recio, Agnieszka S. Karczynska, Sergei Grudinin, Yumeng Yan, Hao Li, Peicong Lin, Sheng-You Huang, Charles W Christoffer, Genki Terashi, Jacob Verburgt, Daipayan Sarkar, Tunde Aderinwale, Xiao Wang, D. Kihara, Tsukasa Nakamura, Y. Hanazono, R. Gowthaman, Johnathan D. Guest, Rui Yin, G. Taherzadeh, B. Pierce, Didier Barradas-Bautista, Zhen Cao, L. Cavallo, R. Oliva, Yuan-Fei Sun, Shaowen Zhu, Yang Shen, Taeyong Park, Hyeonuk Woo, Jinsol Yang, Sohee Kwon, Jonghun Won, Chaok Seok, Yasuomi Kiyota, S. Kobayashi, Yoshiki Harada, Mayuko Takeda-Shitaka, P. Kundrotas, Amar Singh, I. Vakser, J. Dapkūnas, K. Olechnovič, Č. Venclovas, R. Duan, Liming Qiu, Shuang Zhang, Xiaoqin Zou, S. Wodak

Proteins: Structure, Function, and Bioinformatics

DOI

2021

Harnessing Reversed Allosteric Communication: A Novel Strategy for Allosteric Drug Discovery.

Ji-Gang Fan, Yaqin Liu, Ren Kong, D. Ni, Zhengtian Yu, Shao-Yong Lu, Jian Zhang

Journal of Medicinal Chemistry

DOI

2021

Novel STAT3 Small-Molecule Inhibitors Identified by Structure-Based Virtual Ligand Screening Incorporating SH2 Domain Flexibility

Ren Kong, U. Bharadwaj, T. K. Eckols, Mikhail I Kolosov, Hao-Yi Wu, Francisco J Santa Cruz-Pavlovich, Alison Shaw, Oluwatomilona I Ifelayo, Hong Zhao, M. Kasembeli, S. Wong, D. Tweardy

Pharmacological Research

DOI

2021

Using structural analysis to clarify the impact of single nucleotide variants in neurexin/neuroligin revealed in clinical genomic sequencing

Kaiyu Xue, Yunyun Hu, Shuang-Lin Gu, Chao Wang, Ren Kong, Wei Xie, Jian Li

Journal of Biomolecular Structure and Dynamics

DOI

2021

Author response for "Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment"

M. Lensink, Guillaume Brysbaert, Théo Mauri, Nurul Nadzirin, S. Velankar, Raphael A. G. Chaleil, Tereza Clarence, P. Bates, Ren Kong, Bin Liu, Guangbo Yang, Ming Liu, Hang Shi, Xufeng Lu, Shan Chang, Rajashree Roy, Farhan Quadir, Jian Liu, Jian-Lin Cheng, Anna Antoniak, C. Czaplewski, Artur Giełdoń, Mateusz Kogut, Agnieszka G. Lipska, Adam Liwo, Emilia A. Lubecka, Martyna Maszota-Zieleniak, A. Sieradzan, R. Ślusarz, P. Wesołowski, Karolina Zieba, C. A. Del Carpio Munoz, E. Ichiishi, Ameya Harmalkar, Jeffrey J. Gray, A. Bonvin, Francesco Ambrosetti, R. Honorato, Zuzana Jandova, Brian Jiménez-García, Panagiotis I. Koukos, S. V. van Keulen, Charlotte van Noort, Manon Réau, Jorge Roel-Touris, S. Kotelnikov, Dzmitry Padhorny, Kathryn A. Porter, Andrey Alekseenko, Mikhail Ignatov, Israel T. Desta, Ryota Ashizawa, Zhuyezi Sun, Usman Ghani, Nasser Hashemi, S. Vajda, D. Kozakov, Mireia Rosell, Luis A. Rodríguez-Lumbreras, J. Fernández-Recio, Agnieszka Karczynska, Sergei Grudinin, Yupu Yan, Hao Li, Peicong Lin, Sheng-You Huang, Charles Christoffer, Genki Terashi, Jacob Verburgt, Daipayan Sarkar, Tunde Aderinwale, Xiao Wang, D. Kihara, Tsukasa Nakamura, Y. Hanazono, Ragul Gowthaman, Johnathan D. Guest, Rui Yin, Ghazaleh Taherzadeh, B. Pierce, Didier Barradas-Bautista, Zhen Cao, Luigi Cavallo, R. Oliva, Yuan-Fei Sun, Shaowen Zhu, Yang Shen, Taeyong Park, Hyeonuk Woo, Jinsol Yang, Sohee Kwon, Jonghun Won, Chaok Seok, Yasuomi Kiyota, S. Kobayashi, Yoshiki Harada, Mayuko Takeda-Shitaka, P. Kundrotas, Amar Singh, I. Vakser, Justas Dapkūnas, K. Olechnovič, Č. Venclovas, R. Duan, Li-Ming Qiu, Shuang Zhang, Xiao-Qing Zou, S. Wodak

DOI

2020

基于Hadoop环境下蛋白质与配体分子对接模拟实验研究

钦淳，许磊，王峰，孔韧，常珊

《数据采集与处理》

2020

以PDE2为靶标的抑制剂药物高通量筛选模型的建立

许煌，许晓双，高英，曹依菁，黄险峰，孔韧，宋国强

《中国新药杂志》

2020

Template‐based modeling and ab‐initio docking using CoDock in CAPRI

Ren Kong, Ran-Ran Liu, Xi-Ming Xu, Da-Wei Zhang, Xiao-Shuang Xu, Hang Shi, Shan Chang

Proteins: Structure, Function, and Bioinformatics

DOI

2020

COVID-19 Docking Server: A meta server for docking small molecules, peptides and antibodies against potential targets of COVID-19

Ren Kong, Guangbo Yang, Rui Xue, Ming Liu, Feng Wang, Jianping Hu, Xiaoqiang Guo, Shan Chang

Bioinform.

DOI

2020

Improvement of Prediction Performance With Conjoint Molecular Fingerprint in Deep Learning

Liangxu Xie, Lei Xu, Ren Kong, Shan Chang, Xiaojun Xu

Frontiers in Pharmacology

DOI

2020

Loss of histone H4 lysine 20 trimethylation in osteosarcoma is associated with aberrant expression ofhistone methyltransferase SUV420H2

Lian-Hua Piao, Xiaofeng Yuan, Luhui Wang, Xiao-Shuang Xu, Ming Zhuang, Jing-Gao Li, Ren Kong, Zhiwei Liu

Oncology Letters

DOI

2020

Using structural analysis to explore the role of hepatitis B virus mutations in immune escape from liver cancer in Chinese, European and American populations

Shuang-Lin Gu, Li Lv, X. Lin, Xingyu Li, Jun-Cheng Dai, Jian-Qiong Zhang, Ren Kong, Wei Xie, Jian Li

Journal of Biomolecular Structure and Dynamics

DOI

2019

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

M. Lensink, G. Brysbaert, Nurul Nadzirin, S. Velankar, Raphael A. G. Chaleil, Tereza Gerguri, P. Bates, É. Laine, A. Carbone, Sergei Grudinin, Ren Kong, Ran-Ran Liu, Xi-Ming Xu, Hang Shi, Shan Chang, M. Eisenstein, Agnieszka S. Karczynska, C. Czaplewski, E. Lubecka, A. Lipska, P. Krupa, M. Mozolewska, Ł. Golon, S. Samsonov, A. Liwo, S. Crivelli, Guillaume Pagès, Mikhail Karasikov, Maria Kadukova, Yumeng Yan, Sheng-You Huang, Mireia Rosell, L. A. Rodríguez-Lumbreras, Miguel Romero-Durana, Lucía Díaz-Bueno, J. Fernández-Recio, Charles W Christoffer, Genki Terashi, Woong-Hee Shin, Tunde Aderinwale, Sai Raghavendra Maddhuri Venkata Subraman, D. Kihara, D. Kozakov, S. Vajda, Kathryn A. Porter, D. Padhorny, Israel T. Desta, Dmitri Beglov, Mikhail Ignatov, S. Kotelnikov, I. Moal, David W. Ritchie, Isaure Chauvot de Beauchêne, B. Maigret, M. Devignes, M. E. Ruiz Echartea, Didier Barradas-Bautista, Zhen Cao, L. Cavallo, R. Oliva, Yue Cao, Yang Shen, M. Baek, Taeyong Park, Hyeonuk Woo, Chaok Seok, M. Braitbard, Lirane Bitton, Dina Scheidman-Duhovny, J. Dapkūnas, K. Olechnovič, Č. Venclovas, P. Kundrotas, Saveliy Belkin, Devlina Chakravarty, Varsha D. Badal, I. Vakser, T. Vreven, S. Vangaveti, Tyler Borrman, Z. Weng, Johnathan D. Guest, R. Gowthaman, B. Pierce, Xian-Jin Xu, R. Duan, Liming Qiu, Jie Hou, Benjamin Ryan Merideth, Zhiwei Ma, Jian-Lin Cheng, Xiaoqin Zou, Panagiotis I. Koukos, Jorge Roel‐Touris, Francesco Ambrosetti, C. Geng, J. Schaarschmidt, M. Trellet, A. Melquiond, Li C. Xue, Brian Jiménez-García, Charlotte van Noort, R. Honorato, A. Bonvin, S. Wodak

Proteins: Structure, Function, and Bioinformatics

DOI

2019

CoDockPP: A Multistage Approach for Global and Site-Specific Protein-Protein Docking

Ren Kong, Feng Wang, Jian Zhang, Feng-Fei Wang, Shan Chang

Journal of Chemical Information and Modeling

DOI

2019

Abstract 17: Novel STAT3 inhibitors identified by Structure-Based Virtual Ligand Screening incorporating SH2 domain flexibility

Ren Kong, U. Bharadwaj, T. K. Eckols, M. Kasembeli, Mikhail I Kolosov, A. M. Tran, Oluwatomilona I Ifelayo, Hong Zhao, S. Wong, D. Tweardy

Cancer Chemistry

DOI

2019

Identify old drugs as selective bacterial β‐GUS inhibitors by structural‐based virtual screening and bio‐evaluations

Zhou Chen, Xiao-Shuang Xu, Lian-Hua Piao, Shan Chang, Ji-Yong Liu, Ren Kong

Chemical Biology and Drug Design

DOI

2019

Design, synthesis of novel purin-6-one derivatives as phosphodiesterase 2 (PDE2) inhibitors: The neuroprotective and anxiolytic-like effects.

Xian-Feng Huang, Yi-Jing Cao, J. Zhen, Da-Wei Zhang, Ren Kong, Wen-Tao Jiang, Ying Xu, Guo-Qiang Song, Heng-Ming Ke, Li Liu

Bioorganic & Medicinal Chemistry Letters

DOI

2019

Molecular Dynamics Simulations of RNA-Recognition Motif Complexed with CAC-Containing RNA

Shan Chang, Hang Shi, Ren Kong

Biophysical Journal

DOI

2019

Author response for "Template‐based modeling and ab‐initio docking using CoDock in CAPRI"

Ren Kong, Ran-Ran Liu, Xi-Ming Xu, Da-Wei Zhang, Xiao-Shuang Xu, Hang Shi, Shan Chang

DOI

2019

Explore the Binding of Hepatitis B Virus Core Protein Peptides with HLA-A2.1 by Molecular Modeling Methods

Lian-Hua Piao, Zhou Chen, Shan Chang, Jian Li, Ren Kong

Biophysical Journal

DOI

2019

Molecular Dynamics Simulations of Wild Type and Mutants of SAPAP in Complexed with Shank3

Lian-Hua Piao, Zhou Chen, Qiuye Li, Ran-Ran Liu, Wei-Wen Song, Ren Kong, Shan Chang

International Journal of Molecular Sciences

DOI

2019

Synthesis of novel tanshinone derivatives for treatment of castration‐resistant prostate cancer

Defeng Xu, Hang Hu, Jing Guan, J. Da, Yi-Peng Xie, Ya-lin Liu, Ren Kong, Guo-Qiang Song, Huan Zhou

Chemical Biology and Drug Design

DOI

2019

A Strategy to Find Novel Candidate DKAs Inhibitors Using Modified QSAR Model with Favorable Druggability Properties

Xiao-Yi Zhang, Wen-Ling Niu, Tang Tang, Cheng-Fei Hou, Ya-Jie Guo, Ren Kong

Chemical Research in Chinese Universities

DOI

2018

基于CPU和GPU异构的蛋白质分子半柔性对接算法优化

陆旭峰，陆振宇，梅向东，孔韧，常珊

《数据采集与处理》

2018

蛋白质精氨酸甲基转移酶抑制剂的研究进展

许晓双，朴莲花，孔韧

《江苏医药》

2018

Targeting brain-adaptive cancer stem cells prohibits brain metastatic colonization of triple-negative breast cancer

Ding Ren, Xiao-Ping Zhu, Ren Kong, Zhen Zhao, J. Sheng, Jiang Wang, Xiaoyun Xu, Ji-Yong Liu, K. Cui, Xiang-H.-F. Zhang, Hong Zhao, S. Wong

Cancer Research

DOI

2018

Two birds, one stone: hesperetin alleviates chemotherapy-induced diarrhea and potentiates tumor inhibition

Ya-Ping Yu, Ren Kong, Huojun Cao, Z. Yin, Ji-Yong Liu, Xiang Nan, A. Phan, Tian Ding, Hong Zhao, S. Wong

OncoTarget

DOI

2018

Histone methyltransferase SUV39H2 serves oncogenic roles in osteosarcoma.

Lian-Hua Piao, Xiaofeng Yuan, Ming Zhuang, Xu-Bin Qiu, Xiao-Shuang Xu, Ren Kong, Zhiwei Liu

Oncology Report

DOI

2017

分子动力学模拟在药物与膜相互作用研究中的应用

陈舟，任丁，朴莲花，许晓双，常珊，刘继勇，孔韧

《北京工业大学学报》

2017

CAPRI第32～37轮竞赛中蛋白质复合物结构的预测和评估

张大为，许晓双，孔韧，陆旭峰，陆振宇，常珊

《北京工业大学学报》

2017

Exploring the RNA‐bound and RNA‐free human Argonaute‐2 by molecular dynamics simulation method

Ren Kong, Lei Xu, Lian-Hua Piao, Dawei Zhang, Tingjun Hou, Shan Chang

Chemical Biology and Drug Design

DOI

2017

Repositioning of Drug – New Indications for Marketed Drugs

Ren Kong, Stephen T. C. Wong

DOI

2016

DrugMoaMiner: A computational tool for mechanism of action discovery and personalized drug sensitivity prediction

Fuhai Li, L. Wang, Ren Kong, J. Sheng, Huojun Cao, James J. Mancuso, Xiaofeng Xia, C. Stephan, S. Wong

2016 IEEE-EMBS International Conference on Biomedical and Health Informatics (BHI)

DOI

2016

Unraveling the conformational determinants of LARP7 and 7SK small nuclear RNA by theoretical approaches.

Lei Xu, Ren Kong, Jing-Yu Zhu, Hui-Yong Sun, Shan Chang

Molecular Biosystems

DOI

2016

Exploring the molecular basis of RNA recognition by the dimeric RNA-binding protein via molecular simulation methods

Shan Chang, Dawei Zhang, Lei Xu, Hua Wan, Tingjun Hou, Ren Kong

RNA Biology

DOI

2016

Molecular dynamics simulations of wild type and mutant of Pin1 peptidyl-prolyl isomerase

Shan Chang, Ren Kong, Li-Qin Wang, Hang Shi, Lian-Hua Piao

DOI

2015

Molecular dynamics simulation study reveals potential substrate entry path into γ-secretase/presenilin-1.

Ren Kong, Shan Chang, W. Xia, S. Wong

Journal of Structural Biology

DOI

2015

Study on Molecular Recognition between Euphorbia Factor L713283 and β-Tubulin via Molecular Simulation Methods

Shan Chang, Hong-Qiu He, Ren Kong, Zhenjian Xie, Jianping Hu

DOI

2014

Old drug new use - Amoxapine and its metabolites as potent bacterial β-glucuronidase inhibitors for alleviating cancer drug toxicity

Ren Kong, Timothy Liu, Xiao-Ping Zhu, S. Ahmad, Alfred L. Williams, A. Phan, Hong Zhao, John E. Scott, L. Yeh, S. Wong

Clinical Cancer Research

DOI

2013

WITHDRAWN: Intrinsic molecular characteristics of inhibiting STAT3 activation and dimerization through targeting the phosphotyrosine binding site within the SH2 domain-A molecular dynamics study.

Yu-Bo Fan, Ren Kong, D. Tweardy, S. Wong

Journal of Structural Biology

DOI

2013

Multivalency of non-peptide integrin αVβ3 antagonist slows tumor growth.

Yoo-shin Kim, Feng Li, Ren Kong, Yang Bai, King C. Li, Yu-Bo Fan, B. O'Neill, Zheng Li

Molecular Pharmaceutics

DOI

2011

Computer-aided design, synthesis, and biological activity evaluation of potent fusion inhibitors targeting HIV-1 gp41.

J. Tan, Bin Zhang, Xiao J. Cong, Leifu Yang, Bin Liu, Ren Kong, Zhi-Yao Kui, Cun-xin Wang, Liming Hu

Medicinal chemistry

DOI

2010

HIV-1 gp41蛋白与其抑制剂NB-2的结合模式

Cun-xin Wang, Xiao J. Cong, Ren Kong, J. Tan, Wei-zu Chen

DOI

2008

阻断病毒进入细胞的抗HIV-1药物设计

孔韧

《北京工业大学》

2008

基于MPI的分子对接并行算法

常珊，孔韧，李春华，陈慰祖，王存新

《计算物理》

2008

Three-dimensional QSAR analyses of 1,3,4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors.

Ya Zhuo, Ren Kong, Xiao J. Cong, Wei-zu Chen, Cun-xin Wang

European journal of medicinal chemistry

DOI

2008

Molecular dynamics simulations of the bacterial periplasmic heme binding proteins ShuT and PhuT.

Ming Liu, Ji-Guo Su, Ren Kong, Ting-Guang Sun, J. Tan, Wei-zu Chen, Cun-xin Wang

Biophysical Chemistry

DOI

2007

基于吡咯烷与正丁烷类衍生物CCR5拮抗剂的药效团模型构建(英文)

孔韧，徐雪梅，陈慰祖，王存新，胡利明

《物理化学学报》

2007

Pharmacophore Model Generation Based on Pyrrolidine- and Butane-derived CCR5 Antagonists

Ren Kong, Xue-Mei Xu, Wei-Zu Chen, Cun-xin Wang, Liming Hu

DOI

2006

Prediction of the binding mode between BMS-378806 and HIV-1 gp120 by docking and molecular dynamics simulation.

Ren Kong, J. Tan, Xiao-Hui Ma, Wei-zu Chen, Cun-xin Wang

Biochimica et Biophysica Acta

DOI

2005

Prediction of the binding model of HIV-1 gp41 with small molecule inhibitors

J. Tan, Ren Kong, Cun-xin Wang, Wei-zu Chen

2005 IEEE Engineering in Medicine and Biology 27th Annual Conference

DOI

2005

Peptides Design Based on the Interfacial Helix of Integrase Dimer

Ren Kong, Cun-xin Wang, Xiao-Hui Ma, Jia-Ping Liu, Wei-zu Chen

2005 IEEE Engineering in Medicine and Biology 27th Annual Conference

DOI

2005

Studies on binding free energies and the binding mode by docking and MM-PBSA in gp41-ligand complex

J. Tan, Ren Kong, Wei-zu Chen, Cun-xin Wang

DOI

2004

Molecular dynamics simulation on the complexes of N-terminal region of HIV-1 gp41 and its C-peptide inhibitors

J. Tan, Ren Kong, Cun-xin Wang, Wei-zu Chen

DOI

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