组蛋白甲基化和去甲基化识别机理的精确计算新方法

91753103
2017
B0302.化学模拟与应用
张增辉
重大研究计划
教授
华东师范大学
70万元
甲基化;分子识别;去甲基化;组蛋白;结合自由能
2018-01-01到2020-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Calculation of Hot Spots for Protein-Protein Interaction in p53/PMI-MDM2/MDMX Complexes 期刊论文 Huang Dading;Qi Yifei;Song Jianing;Zhang John Z. H.
2 Computational analysis of hot spots and binding mechanism in the PD-1/PD-L1 interaction 期刊论文 Huang Dading;Wen Wei;Liu Xiao;Li Yang;Zhang John Z. H.
3 一种用于SARS-CoV-2靶点Mpro抑制剂的乙酰胺类化合物 专利 张增辉;戚逸飞;郑磊;杨云鹏;鲍劲霄;何丽萍
4 End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design 期刊论文 Wang Ercheng;Sun Huiyong;Wang Junmei;Wang Zhe;Liu Hui;Zhang John Z. H.;Hou Tingjun
5 基于相互作用能项和机器学习的蛋白-配体亲和力预测方法 专利 季长鸽;王卫军;张增辉;闫玉娜;段观福;单金文
6 Alanine scanning combined with interaction entropy studying the differences of binding mechanism on HIV-1 and HIV-2 proteases with inhibitor 期刊论文 Cong Yalong;Duan Lili;Huang Kaifang;Bao Jinxiao;Zhang John Z. H.
7 A Fragment Quantum Mechanical Method for Metalloproteins 期刊论文 Xu Mingyuan;He Xiao;Zhu Tong;Zhang John Z. H.
8 Accurate and Efficient Calculation of Protein-Protein Binding Free Energy-Interaction Entropy with Residue Type-Specific Dielectric Constants 期刊论文 Liu Xiao;Peng Long;Zhang John Z. H.
9 Computational Alanine Scanning with Interaction Entropy for Protein-Ligand Binding Free Energies 期刊论文 Liu Xiao;Peng Long;Zhou Yifan;Zhang Youzhi;Zhang John Z. H.
10 DenseCPD: Improving the Accuracy of Neural-Network-Based Computational Protein Sequence Design with DenseNet 期刊论文 Qi Yifei;Zhang John Z. H.
11 一种显性表示蛋白口袋表层原子与配体相互作用满足程度的方法 专利 季长鸽;王卫军;单金文;张增辉
12 一种基于蛋白环境描述小分子片段属性的指纹设计方法 专利 季长鸽;单金文;张增辉
13 A method for efficient calculation of thermal stability of proteins upon point mutations 期刊论文 Wang Bo;Qi Yifei;Gao Ya;Zhang John Z. H.
14 一种基于小分子三维结构描述小分子片段属性的指纹设计方法 专利 季长鸽;单金文;张增辉
15 Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field 期刊论文 Cong Yalong;Li Yuchen;Jin Kun;Zhong Susu;Zhang John Z. H.;Li Hao;Duan Lili
16 Computational approaches to studying methylated H4K20 recognition by DNA repair factor 53BP1 期刊论文 Li Zhendong;Bao Jingxiao;Qi Yifei;Zhang John Z. H.
17 Molecular basis of SMAC-XIAP binding and the effect of electrostatic polarization 期刊论文 Tian Shuaizhen;Ji Changge;Zhang John Z. H.
18 Entropic effect and residue specific entropic contribution to the cooperativity in streptavidin-biotin binding 期刊论文 Cong Yalong;Huang Kaifang;Li Yucheng;Zhong Susu;Zhang John Z. H.;Duan Lili
19 一种基于可极化键模型的分子对接方法 专利 季长鸽;段观福;张增辉
20 Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective 期刊论文 Wang Ran;Cong Yalong;Li Mengxin;Bao Jinxiao;Qi Yifei;Zhang John Z. H.
21 4-乙酰基-5-苯基吡咯烷-2,3-二酮类化合物及其在CDK2蛋白抑制剂中的应用 专利 戚逸飞;张增辉;郑磊;杨云鹏;董素珍;何丽萍;鲍劲霄
22 Binding Modes of Small-Molecule Inhibitors to the EED Pocket of PRC2 期刊论文 Huang Dading;Tian Shuaizhen;Qi Yifei;Zhang John Z. H.
23 基于相互作用指纹和机器学习的药物靶标的虚拟筛选方法 专利 季长鸽;闫玉娜;张增辉
24 Computational Study of PCSK9-EGFA Complex with Effective Polarizable Bond Force Field 期刊论文 Chen Jian;Duan Lili;Ji Changge;Zhang John Z. H.
25 DeepDDG: Predicting the Stability Change of Protein Point Mutations Using Neural Networks 期刊论文 Cao Huali;Wang Jingxue;He Liping;Qi Yifei;Zhang John Z.
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