TY - RPRT TI - A Discard-and-Restart MD algorithm for the sampling of realistic protein transition states and enhance structure-based drug discovery AU - Ianeselli, A. AU - Howard, J. AU - Gerstein, M. PY - 2024 DO - 10.1101/2024.06.14.598892 UR - https://www.biorxiv.org/content/10.1101/2024.06.14.598892v1 ID - 10.1101/2024.06.14.598892 ER -