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Biomolecules|January 21, 2023
LongBondEliminator: A Molecular Simulation Tool to Remove Ring Penetrations in Biomolecular Simulation SystemsDaipayan Sarkar, Martin Kulke, Josh V VermaasJournal of Chemical Theory and Computation|September 21, 2022
Reversible Unwrapping Algorithm for Constant-Pressure Molecular Dynamics SimulationsMartin Kulke, Josh V VermaasBiomacromolecules|August 21, 2025
Quantifying Chemically Modified Acetylation Induced Changes in the Plant Secondary Cell Wall Structure and DynamicsMurtaza Barkarar, Daipayan Sarkar, Christopher G Hunt, et al.Plant, Cell & Environment|May 22, 2023
Nanoscale simulation of the thylakoid membrane response to extreme temperaturesMartin Kulke, Sarathi M Weraduwage, Thomas D Sharkey, et al.Proceedings of the National Academy of Sciences of the United States of America|November 1, 2024
Atomic view of photosynthetic metabolite permeability pathways and confinement in synthetic carboxysome shellsDaipayan Sarkar, Christopher Maffeo, Markus Sutter, et al.Biochemical Society Transactions|February 25, 2022
Exploring cryo-electron microscopy with molecular dynamicsJohn W Vant, Daipayan Sarkar, Jonathan Nguyen, et al.The Journal of Chemical Physics|December 9, 2020
Data-guided Multi-Map variables for ensemble refinement of molecular moviesJohn W Vant, Daipayan Sarkar, Ellen Streitwieser, et al.Journal of Chemical Information and Modeling|September 4, 2023
Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible FittingDaipayan Sarkar, Hyungro Lee, John W Vant, et al.Plant Direct|February 6, 2023
Characterization of promoter elements of isoprene-responsive genes and the ability of isoprene to bind START domain transcription factorsSarathi M Weraduwage, Abira Sahu, Martin Kulke, et al.Small (Weinheim an Der Bergstrasse, Germany)|September 1, 2023
Long-Range Electron Transport Rates Depend on Wire Dimensions in Cytochrome NanowiresMartin Kulke, Dayna M Olson, Jingcheng Huang, et al.Pageof 11