• Developing molecular docking methods to model protein interactions 

    Yan, Chengfei (University of Missouri--Columbia, 2016)
    [ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT AUTHOR'S REQUEST.] In many cellular processes, proteins carry out their functions through interacting with other molecules, such as small compounds (i.e. ligands), peptides ...
  • Predicting the structure and energetics of protein-ligand interaction 

    Ma, Zhiwei (University of Missouri--Columbia, 2019)
    Molecular docking has been a crucial component and remains a highly active area in computer-aided drug design (CADD). In simple terms, molecular docking uses computer algorithms to identify the "best" match between two ...