TY - RPRT TI - Incorporating prior knowledge to seeds of adaptive sampling molecular dynamics simulations of ligand transport in enzymes with buried active sites AU - Sarkar, D. K. AU - Surpeta, B. AU - Brezovsky, J. PY - 2023 DO - 10.1101/2023.09.21.558608 UR - https://www.biorxiv.org/content/10.1101/2023.09.21.558608v1 ID - 10.1101/2023.09.21.558608 ER -