News

  • 02/02/2026 - Welcome Jiaqi Zhu as a new postdoc in the Ding lab! Jiaqi received her PhD in Chemistry from the Dartmouth College working with Prof. Paul Robustelli. She will be working on advancing free energy calculations. Excited to have you on board, Jiaqi!

  • 12/10/2025 - Xinqiang gave a talk in the Great Boston Area Theoretical Chemistry Seminar Series on "Free Energy Calculations Meet Machine Learning and Bayesian Statistics" and visited chemistry departments at MIT, Harvard, and BU.

  • 09/01/2025 - The Ding lab received the NIH MIRA award to support research on "Advancing Free Energy Methods for Drug Design"!

  • 07/18/2025 - Xinqiang gave a talk on optimizing force fields with experimental data at the 2025 CHARMM Developer's Meeting in Tallahassee, FL.

  • 05/06/2025 - All lab members attended the 2025 Free Energy Workshop in Boston, MA. Xinqiang gave a talk and both Kun and Haoming presented posters on their research.

  • 03/05/2025 - Xinqiang visited the Department of Pharmaceutical Sciences at the University of Maryland and gave a talk on "Optimizing Force Fields with Experimental Data".

  • 12/20/2024 - The lab celebrated the first holiday season together with a lab lunch at a local restaurant.
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  • 10/23/2024 - Our paper on CBayesMBAR is published on JCTC! It provides a principled Bayesian approach to compute free energy differences and uncertainties on perturbation graphs with cycles.

  • 10/18/2024 - Our lab is growing! Anjali, Haoming, and John have joined the lab as PhD graduate students. Looking forward to working with you all!

  • 08/19/2024 - Xinqiang gave two talks at the 2024 ACS Fall Meeting in Denver, Colorado on BayesMBAR, CBayesMBAR, and potential contrasting for force field optimization with experimental data.

  • 07/20/2024 - Xinqiang gave a talk on BayesMBAR at the 2024 CHARMM Developer's Meeting in Baltimore.

  • 07/19/2024 - Checkout the preprint of the manuscript titled "Principled Approach for Computing Free Energy on Perturbation Graphs with Cycles"

  • 07/06/2024 - Our paper on using potential contrasting to optimize force fields with experimental data is published on J. Phys. Chem. B.

  • 06/15/2024 - Kun joins the lab as the lab’s first postdoc. Both John and Saki join the lab as summer interns. Welcome on board!

  • 02/22/2024 - Our paper on BayesMBAR is published on J. Chem. Theory Comput.

  • 01/15/2024 - Welcome undergraduate students - Khoa, Christine, Sophia, and Ryan - to the Ding lab!

  • 11/03/2023 - Congratulations on the first manuscript from the Ding lab! The manuscript is titled “Bayesian Multistate Bennett Acceptance Ratio Methods”

  • 08/16/2023 - The Ding lab is officially open in the Department of Chemistry at the Tufts University in Medford, MA.