基本信息
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Career Trajectory
Bio
Professor Hirst's research focuses on the application of computational chemistry to challenging problems in chemistry and biology. His research spans a wide range, from the quantum chemistry of small molecules and the spectroscopic properties of proteins, to the application of state-of-the-art statistical and computer science methodology to problems in bioinformatics, drug design and sustainable chemistry. Insights from the work on formamide and other small amides have been applied to studies of proteins and have led to significant improvements in the calculation of the circular dichroism of proteins from first principles. The success of Hirst's quantum chemical research is reflected in the number of collaborations with biomolecular experimentalists. His calculations on protein circular dichroism spectroscopy, a key technique in structural biology, are the most accurate to be published. Another aspect of Hirst's research focuses on the study of protein-ligand interactions, using techniques including QSAR, machine learning, neural networks, docking, molecular dynamics (MD) simulations and quantum chemistry.
Research Interests
Papers共 384 篇Author StatisticsCo-AuthorSimilar Experts
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Lihui Duo,Yi Chen, Qiupei Liu, Zhangyi Ma, Amin Farjudian, Wan Yong Ho, Sze Shin Low,Jianfeng Ren,Jonathan D Hirst,Hua Xie,Bencan Tang
JOURNAL OF ENERGY CHEMISTRYno. 3 (2024): 540-564
crossref(2024)
Communications chemistryno. 1 (2024): 102-102
Neuroendocrine Regulation of Mammalian Pregnancy and Lactation Masterclass in Neuroendocrinologypp.133-154, (2024)
Journal of Cheminformaticsno. 1 (2024): 1-7
BMJ openno. 7 (2023): e072205-e072205
JOURNAL OF PHYSICAL CHEMISTRY Cno. 11 (2023): 5519-5532
Jonathan D. Hirst,Samuel Boobier, Jennifer Coughlan,Jessica Streets,Philippa L. Jacob, Oska Pugh,Ender Özcan,Simon Woodward
Artificial Intelligence Chemistryno. 2 (2023): 100006-100006
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