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JACS Au|May 29, 2026
Metastable Protein-Protein Interactions as a Design Principle for PROTACs: Insights from the RIPK1-VHL SystemYue Wu, Zhen Zhang, Nina J Hawkins, et al.Advances in Experimental Medicine and Biology|January 22, 2014
Application of Markov State Models to simulate long timescale dynamics of biological macromoleculesLin-Tai Da, Fu Kit Sheong, Daniel-Adriano Silva, et al.Arxiv|July 1, 2024
An Information Bottleneck Approach for Markov Model ConstructionDedi Wang, Yunrui Qiu, Eric R Beyerle, et al.Biology of Reproduction|September 10, 2004
Reduced collagen and ascorbic acid concentrations and increased proteolytic susceptibility with prelabor fetal membrane rupture in womenEmma L Stuart, Gareth S Evans, Yu Shan Lin, et al.The Journal of Physical Chemistry. B|July 5, 2007
Nanoscale dewetting transition in protein complex foldingLan Hua, Xuhui Huang, Pu Liu, et al.Nature Computational Science|June 10, 2025
Memory kernel minimization-based neural networks for discovering slow collective variables of biomolecular dynamicsBojun Liu, Siqin Cao, Jordan G Boysen, et al.Journal of Chemical Theory and Computation|April 21, 2025
AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular DynamicsSiqin Cao, Feliks Nüske, Bojun Liu, et al.The Journal of Physical Chemistry. B|June 10, 2008
Molecular dynamics study of the temperature-dependent Optical Kerr effect spectra and intermolecular dynamics of room temperature ionic liquid 1-methoxyethylpyridinium dicyanoamideZhonghan Hu, Xuhui Huang, Harsha V R Annapureddy, et al.Journal of Chemical Theory and Computation|June 11, 2024
Information Bottleneck Approach for Markov Model ConstructionDedi Wang, Yunrui Qiu, Eric R Beyerle, et al.Biophysical Journal|February 21, 2012
Investigating how peptide length and a pathogenic mutation modify the structural ensemble of amyloid beta monomerYu-Shan Lin, Gregory R Bowman, Kyle A Beauchamp, et al.Pageof 40