@misc{indiciae644ace8fec73, title = {Gaussian accelerated Molecular Dynamics - Thermodynamic Integration (GaMD-TI): Improved alchemical free energy calculations with enhanced sampling}, author = {Miao, Y. and Sastry, S. and Wang, J. and Mehmood, A. and Kim, M. T.-j.}, year = {2026}, doi = {10.64898/2026.09.01.748610}, url = {https://www.biorxiv.org/content/10.64898/2026.09.01.748610v1}, note = {Source identifier: 10.64898/2026.09.01.748610} }