Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[2PC-179] An application of an explicit water model to a glycoprotein-antibody complex

03.Poster

○UENO-NOTO, Kaori (Coll. Liberal Arts Sci., Kitasato Univ.)

Keywords:water molecules inside biomolecules、antibody、human immunodeficiency virus-1、molecular dynamics simulation、quantum mechanical calculation