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 61 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
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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
Wanling Song,Shuang-yan Zhang, Qi Li,Guisheng Xiang,Yan Zhao,Shengchao Yang,Wei Fan, Bin Hao,Guanghui Zhang
Research Square (Research Square) (2023)
Aging and diseaseno. 1 (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
Aging and Diseaseno. 1 (2023): 170-170
Molecular metabolism (2022): 101530-101530
Yen, Hsin-Yung,Liko, Idlir,Song, Wanling, Kapoor, Parth,Almeida, Fernando, Toporowska, Joanna,Gherbi, Karolina, Hopper, Jonathan T. S.,Charlton, Steven J., Politis, Argyris,Sansom, Mark S. P., Jazayeri, Ali,
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