Hot spot profiles of SARS-CoV-2 and human ACE2 receptor protein protein interaction obtained by density functional tight binding fragment molecular orbital method
Lim, Hocheol, Baek, Ayoung, Kim, Jongwan, Kim, Min Sung, Liu, Jiaxin, Nam, Ky-Youb, Yoon, JeongHyeok, No, Kyoung Tai
Published in Scientific reports (08.10.2020)
Published in Scientific reports (08.10.2020)
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Journal Article
Fragment molecular orbital-based variational quantum eigensolver for quantum chemistry in the age of quantum computing
Lim, Hocheol, Kang, Doo Hyung, Kim, Jeonghoon, Pellow-Jarman, Aidan, McFarthing, Shane, Pellow-Jarman, Rowan, Jeon, Hyeon-Nae, Oh, Byungdu, Rhee, June-Koo Kevin, No, Kyoung Tai
Published in Scientific reports (29.01.2024)
Published in Scientific reports (29.01.2024)
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Journal Article
Identification of Novel Natural Product Inhibitors against Matrix Metalloproteinase 9 Using Quantum Mechanical Fragment Molecular Orbital-Based Virtual Screening Methods
Lim, Hocheol, Hong, Hansol, Hwang, Seonik, Kim, Song Ja, Seo, Sung Yum, No, Kyoung Tai
Published in International journal of molecular sciences (18.04.2022)
Published in International journal of molecular sciences (18.04.2022)
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Journal Article
Application of the fragment molecular orbital method to discover novel natural products for prion disease
Choi, Jiwon, Kim, Hyo-Jin, Jin, Xuemei, Lim, Hocheol, Kim, Songmi, Roh, In-Soon, Kang, Hae-Eun, No, Kyoung Tai, Sohn, Hyun-Joo
Published in Scientific reports (30.08.2018)
Published in Scientific reports (30.08.2018)
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Journal Article
Intracellular Loop in the Brain Isoforms of Anoctamin 2 Channels Regulates Calcium-dependent Activation
Lee, Dongsu, Lim, Hocheol, Lee, Jungryun, Ha, Go Eun, No, Kyoung Tai, Cheong, Eunji
Published in Experimental neurobiology (30.06.2023)
Published in Experimental neurobiology (30.06.2023)
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Journal Article
Inhibition of IRP2-dependent reprogramming of iron metabolism suppresses tumor growth in colorectal cancer
Hwang, Jieon, Park, Areum, Kim, Chinwoo, Kim, Chang Gon, Kwak, Jaesung, Kim, Byungil, Shin, Hyunjin, Ku, Minhee, Yang, Jaemoon, Baek, Ayoung, Choi, Jiwon, Lim, Hocheol, No, Kyoung Tai, Zhao, Xianghua, Choi, Uyeong, Kim, Tae Il, Jeong, Kyu-Sung, Lee, Hyuk, Shin, Sang Joon
Published in Cell communication and signaling (23.08.2024)
Published in Cell communication and signaling (23.08.2024)
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Journal Article
Evaluation of protein descriptors in computer-aided rational protein engineering tasks and its application in property prediction in SARS-CoV-2 spike glycoprotein
Lim, Hocheol, Jeon, Hyeon-Nae, Lim, Seungcheol, Jang, Yuil, Kim, Taehee, Cho, Hyein, Pan, Jae-Gu, No, Kyoung Tai
Published in Computational and structural biotechnology journal (01.01.2022)
Published in Computational and structural biotechnology journal (01.01.2022)
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Journal Article
Investigation of Hot Spot Region in XIAP Inhibitor Binding Site by Fragment Molecular Orbital Method
Lim, Hocheol, Jin, Xuemei, Kim, Jongwan, Hwang, Sungbo, Shin, Ki Beom, Choi, Jiwon, Nam, Ky-Youb, No, Kyoung Tai
Published in Computational and structural biotechnology journal (01.01.2019)
Published in Computational and structural biotechnology journal (01.01.2019)
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Journal Article
Abstract 5937: KS20226, a first-in-class IRP2 inhibitor, preferentially induces reprogramming of iron metabolism and suppresses tumor growth in colorectal cancer
Hwang, Jieon, Park, Areum, Kim, Chinwoo, Kim, Chang Gon, Kwak, Jaesung, Kim, Byungil, Shin, Hyunjin, Ku, Minhee, Yang, Jaemoon, Baek, Ayoung, Choi, Jiwon, Lim, Hocheol, No, Kyoung Tai, Zhao, Xianghua, Choi, Uyeong, Kim, Tae Il, Jeong, Kyu-Sung, Lee, Hyuk, Shin, Sang Joon
Published in Cancer research (Chicago, Ill.) (22.03.2024)
Published in Cancer research (Chicago, Ill.) (22.03.2024)
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Journal Article
Quantum computational study of chloride ion attack on chloromethane for chemical accuracy and quantum noise effects with UCCSD and k-UpCCGSD ansatzes
Lim, Hocheol, Jeon, Hyeon-Nae, June-Koo Rhee, Oh, Byungdu, Kyoung Tai No
Published in arXiv.org (31.12.2021)
Published in arXiv.org (31.12.2021)
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Paper
Journal Article
Hot Spot Profiles of SARS-CoV-2 and Human ACE2 Receptor Protein-Protein Interaction Obtained by Density Functional Tight-Binding Fragment Molecular Orbital Method
Lim, Hocheol, Baek, Ayoung, Kim, Jongwan, Min Sung Kim, Liu, Jiaxin, Nam, Ky-Youb, Yoon, JeongHyeok, Kyoung Tai No
Published in Nature Portfolio (27.04.2020)
Published in Nature Portfolio (27.04.2020)
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