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.
Our lab is growing! Anjali, Haoming, and John have joined the lab as PhD graduate students. Looking forward to working with you all!
Checkout the preprint of the manuscript titled “Principled Approach for Computing Free Energy on Perturbation Graphs with Cycles”
Checkout the final version “Optimizing Force Fields with Experimental Data Using Ensemble Reweighting and Potential Contrasting”
Kun joins the lab as the lab’s first postdoc. Both John and Saki join the lab as summer interns. Welcome on board!
Checkout the preprint of the manuscript titled “Optimizing Force Fields with Experimental Data Using Ensemble Reweighting and Potential Contrasting”
Checkout the final version of the paper at “Bayesian Multistate Bennett Acceptance Ratio Methods”
Christine and Sophia will join the group as undergraduate researchers in Spring 2024! Welcome!