TY - RPRT TI - Gaussian accelerated Molecular Dynamics - Thermodynamic Integration (GaMD-TI): Improved alchemical free energy calculations with enhanced sampling AU - Miao, Y. AU - Sastry, S. AU - Wang, J. AU - Mehmood, A. AU - Kim, M. T.-j. PY - 2026 DO - 10.64898/2026.09.01.748610 UR - https://www.biorxiv.org/content/10.64898/2026.09.01.748610v1 ID - 10.64898/2026.09.01.748610 ER -