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Computational modeling of proteins. We develop theory and computer simulations to understand how proteins fold and aggregate, their binding affinities for drugs and other proteins, and the processes by which they form amyloid assemblies in disease. Our simulation methods under development include the SEA model of water and the MELD method for fast guided searching of protein conformational spaces.
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论文共 327 篇作者统计合作学者相似作者
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bioRxiv : the preprint server for biologypp.1-36, (2024)
Nature Reviews Physicspp.1-12, (2024)
Sandi Brudar, Leonid Breydo, Elisha Chung,Ken A. Dill, Nasim Ehterami, Ketan Phadnis, Samir Senapati,Mohammed Shameem, Xiaolin Tang, Muhammmad Tayyab,Barbara Hribar-Lee
Journal of chemical information and modelingno. 9 (2023): 2857-2865
Proceedings of the National Academy of Sciences of the United States of Americano. 16 (2023)
QRB discovery (2023)
bioRxiv : the preprint server for biology (2023)
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