Dataset associated with paper "Determining the optimal heparin binding domain distance in VEGF165 using umbrella sampling simulations for optimal dimeric aptamer design"

This file was created by Jung Seok Lee and Yeon Ju Go with the advice of professor Young Min Rhee in the Computational Photodynamics Research Lab of the Department of Chemistry at Korea Advanced Institue of Science and Technology. Successful execution of these computations requires that GROMACS 2022 and HDOCK be installed, which must also be reflected by appropriate modifications to the attached shell script files.