Investigation of protein-protein interactions and hot spot region between PD-1 and PD-L1 by fragment molecular orbital method

door Lim, Hocheol, Chun, Jungho, Jin, Xuemei, Kim, Jongwan, Yoon, JeongHyeok, No, Kyoung Tai
Gepubliceerd in Sci Rep (2019)

Investigation of Hot Spot Region in XIAP Inhibitor Binding Site by Fragment Molecular Orbital Method

door Lim, Hocheol, Jin, Xuemei, Kim, Jongwan, Hwang, Sungbo, Shin, Ki Beom, Choi, Jiwon, Nam, Ky-Youb, No, Kyoung Tai
Gepubliceerd in Comput Struct Biotechnol J (2019)

Hot spot profiles of SARS-CoV-2 and human ACE2 receptor protein protein interaction obtained by density functional tight binding fragment molecular orbital method

door Lim, Hocheol, Baek, Ayoung, Kim, Jongwan, Kim, Min Sung, Liu, Jiaxin, Nam, Ky-Youb, Yoon, JeongHyeok, No, Kyoung Tai
Gepubliceerd in Sci Rep (2020)

Application of the fragment molecular orbital method to discover novel natural products for prion disease

door Choi, Jiwon, Kim, Hyo-Jin, Jin, Xuemei, Lim, Hocheol, Kim, Songmi, Roh, In-Soon, Kang, Hae-Eun, No, Kyoung Tai, Sohn, Hyun-Joo
Gepubliceerd in Sci Rep (2018)