基本信息
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Bio
An experienced computational chemist specialised in molecular modelling using both commercialised software (e.g. Schrodinger) and open-source ones (e.g. Gromacs). An application scientist working in generative pipelines side-by-side with chemists and biologists to deliver hit-to-lead optimization. Over 10 years' experience in Molecular Dynamics Simulations. Experienced in applying machine learning techniques to ligand analysis. Excellent track record of publications and scientific presentations.
CORE SKILLS/STRENGTHS
• Molecular modelling using Schrodinger software (e.g. FEP+, Glide, and WaterMap)
• Molecular dynamics simulations using e.g. Gromacs, OpenMM and Desmond.
• Ligand analysis using RDKit.
• Python programming, including programming using Schrodinger API
• Machine learning and data analysis
• Markov state modelling
• Teaching and supervision
CORE SKILLS/STRENGTHS
• Molecular modelling using Schrodinger software (e.g. FEP+, Glide, and WaterMap)
• Molecular dynamics simulations using e.g. Gromacs, OpenMM and Desmond.
• Ligand analysis using RDKit.
• Python programming, including programming using Schrodinger API
• Machine learning and data analysis
• Markov state modelling
• Teaching and supervision
Research Interests
Papers共 64 篇Author StatisticsCo-AuthorSimilar Experts
By YearBy Citation主题筛选期刊级别筛选合作者筛选合作机构筛选
时间
引用量
主题
期刊级别
合作者
合作机构
Shuang-yan Zhang, Yu-qing Peng,Gui-sheng Xiang,Wan-ling Song,Lei Feng, Xin-yue Jiang,Xue-jiao Li,Si-mei He,Sheng-chao Yang,Yan Zhao,Guang-hui Zhang
Frontiers in plant science (2024): 1412574-1412574
Research Square (Research Square) (2023)
Research Square (Research Square) (2023)
Zijiang Yang, Xiaobo Li, Ling Yang,Sufang Peng,Wanling Song,Yuan Lin,Guisheng Xiang,Ying Li,Shuang Ye,Chunhua Ma,Jianhua Miao,Guanghui Zhang,
Plant communicationsno. 4 (2023): 100591-100591
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Author Statistics
#Papers: 64
#Citation: 1296
H-Index: 16
G-Index: 35
Sociability: 6
Diversity: 3
Activity: 41
Co-Author
Co-Institution
D-Core
- 合作者
- 学生
- 导师
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