TY - RPRT TI - Well-tempered metadynamics calculations of free energy surfaces of benzothiadiazine derivatives in aqueous solution AU - Hu, Z. AU - Marti, J. PY - 2023 DO - 10.1101/2023.11.15.567238 UR - https://www.biorxiv.org/content/10.1101/2023.11.15.567238v1 ID - 10.1101/2023.11.15.567238 ER -