Prediction of polyreactive and nonspecific single-chain fragment variables through structural biochemical features and protein language-based descriptors

por Lim, Hocheol, No, Kyoung Tai
Publicado 2022

Quantum computational study of chloride attack on chloromethane for chemical accuracy and quantum noise effects with UCCSD and k-UpCCGSD ansatzes

por Lim, Hocheol, Jeon, Hyeon-Nae, Rhee, June-Koo, Oh, Byungdu, No, Kyoung Tai
Publicado 2022

Intracellular Loop in the Brain Isoforms of Anoctamin 2 Channels Regulates Calcium-dependent Activation

por Lee, Dongsu, Lim, Hocheol, Lee, Jungryun, Ha, Go Eun, No, Kyoung Tai, Cheong, Eunji
Publicado 2023

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

por Lim, Hocheol, Chun, Jungho, Jin, Xuemei, Kim, Jongwan, Yoon, JeongHyeok, No, Kyoung Tai
Publicado 2019

Identification of Novel Natural Product Inhibitors against Matrix Metalloproteinase 9 Using Quantum Mechanical Fragment Molecular Orbital-Based Virtual Screening Methods

por Lim, Hocheol, Hong, Hansol, Hwang, Seonik, Kim, Song Ja, Seo, Sung Yum, No, Kyoung Tai
Publicado 2022

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

por Lim, Hocheol, Jin, Xuemei, Kim, Jongwan, Hwang, Sungbo, Shin, Ki Beom, Choi, Jiwon, Nam, Ky-Youb, No, Kyoung Tai
Publicado 2019

Evaluation of protein descriptors in computer-aided rational protein engineering tasks and its application in property prediction in SARS-CoV-2 spike glycoprotein

por Lim, Hocheol, Jeon, Hyeon-Nae, Lim, Seungcheol, Jang, Yuil, Kim, Taehee, Cho, Hyein, Pan, Jae-Gu, No, Kyoung Tai
Publicado 2022

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

por Lim, Hocheol, Baek, Ayoung, Kim, Jongwan, Kim, Min Sung, Liu, Jiaxin, Nam, Ky-Youb, Yoon, JeongHyeok, No, Kyoung Tai
Publicado 2020

Hot Spot Analysis of YAP-TEAD Protein-Protein Interaction Using the Fragment Molecular Orbital Method and Its Application for Inhibitor Discovery

por Kim, Jongwan, Lim, Hocheol, Moon, Sungho, Cho, Seon Yeon, Kim, Minhye, Park, Jae Hyung, Park, Hyun Woo, No, Kyoung Tai
Publicado 2021

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

por Choi, Jiwon, Kim, Hyo-Jin, Jin, Xuemei, Lim, Hocheol, Kim, Songmi, Roh, In-Soon, Kang, Hae-Eun, No, Kyoung Tai, Sohn, Hyun-Joo
Publicado 2018