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The only way to find out what will happen when a complex system is disturbed is to disturb the system, not merely to observe it passively ――――― Fred Mosteller and John Tukey

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About Me and This Page Jul 19, 2023

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Poster Presentation at 2024 CHARMM Developers Meeting and Gordon Research Conference
ACS-SWRM-2023: Dynamic Perspectives on Catalytic Function in Adenylate Kinase
Machine Learning Assisted QM/MM Free Energy Simulations: A Quick Way to Set up an Interface to Python in CHARMM
About Me and This Page
Lipari-Szabo $S^2$ Order Parameters from Molecular Dynamics Simulation Trajectories

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