Archives
- 30 Jul Poster Presentation at 2024 CHARMM Developers Meeting and Gordon Research Conference
- 24 Jan Machine Learning Assisted QM/MM Free Energy Simulations: A Quick Way to Set up an Interface to Python in CHARMM
- 26 Dec ACS-SWRM-2023: Dynamic Perspectives on Catalytic Function in Adenylate Kinase
- 14 Aug Lipari-Szabo $S^2$ Order Parameters from Molecular Dynamics Simulation Trajectories
- 26 Jul Statistics of Averages from Molecular Dynamics Trajectories: Time Auto-correlation Function
- 19 Jul PyMOL-Python External Functions for CHARMM MD Trajectory Analysis
- 19 Jul About Me and This Page