Hsu, H.-H.H.-H.HsuHuang, C.-H.C.-H.HuangLin, S.-T.S.-T.LinSHIANG-TAI LIN2020-01-062020-01-062019https://scholars.lib.ntu.edu.tw/handle/123456789/445736New Data Structure for Computational Molecular Design with Atomic or Fragment Resolutionjournal article10.1021/acs.jcim.9b004782-s2.0-85071863345https://www.scopus.com/inward/record.uri?eid=2-s2.0-85071863345&doi=10.1021%2facs.jcim.9b00478&partnerID=40&md5=7ec3c44cf86df613a7085c563035cff3