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Bio
I am a molecular modeller with focus in usage and development of enhanced sampling molecular dynamics methods suchs as Metadynamics and Transition Path Sampling, as well as integrative structural biology methods to probe protein dynamics by incorporating experimental data (Cryo-EM, NMR, transition rate constants) into molecular simulations. My goal is to develop and apply state of the art computational tools for understanding and predicting macroscopic properties and function of biomolecules and small molecules based on their chemical constitution and dynamics that can revolutionise drug discovery and diagnostics.
Research Interests
Papers共 41 篇Author StatisticsCo-AuthorSimilar Experts
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JOURNAL OF CHEMICAL INFORMATION AND MODELINGno. 3 (2024): 590-596
Methods in molecular biology (Clifton, N.J.) (2024): 77-90
biorxiv(2024)
NATURE CHEMICAL BIOLOGY (2024)
biorxiv(2023)
Frontiers in molecular biosciences (2023): 1155753
Journal of Chemical Theory and Computationno. 14 (2023): 4701-4710
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