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

Assessment of quantitative structure-activity relationship of toxicity prediction models for Korean chemical substance control legislation

por Kim, Kwang-Yon, Shin, Seong Eun, No, Kyoung Tai
Publicado 2015

Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content

por Jung, In‐Keun, Choi, Joonho, Nam, Jin, No, Kyoung Tai
Publicado 2020

Leveraging the Fragment Molecular Orbital Method to Explore the PLK1 Kinase Binding Site and Polo-Box Domain for Potent Small-Molecule Drug Design

por Jin, Haiyan, Kim, Jongwan, Lee, Onju, Kim, Hyein, No, Kyoung Tai
Publicado 2023

Development of an Infinite Dilution Activity Coefficient Prediction Model for Organic Solutes in Ionic Liquids with Modified Partial Equalization Orbital Electronegativity Method D...

por Jeon, Hyeon-Nae, Shin, Hyun Kil, Hwang, Sungbo, No, Kyoung Tai
Publicado 2021

Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development

por Seo, Myungwon, Shin, Hyun Kil, Myung, Yoochan, Hwang, Sungbo, No, Kyoung Tai
Publicado 2020

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

Improving gene expression similarity measurement using pathway-based analytic dimension

por Keum, Changwon, Woo, Jung Hoon, Oh, Won Seok, Park, Sue-Nie, No, Kyoung Tai
Publicado 2009

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

Outcomes of Abdominal Total Gastrectomy for Type II and III Gastroesophageal Junction Tumors: Single Center's Experience in Korea

por Kim, Kyoung Tai, Jeong, Oh, Jung, Mi Ran, Ryu, Seong Yeop, Park, Young-Kyu
Publicado 2012

Tyrosinase-Targeting Gallacetophenone Inhibits Melanogenesis in Melanocytes and Human Skin- Equivalents

por Lee, Ji Young, Lee, Jooyun, Min, Daejin, Kim, Juewon, Kim, Hyoung-June, No, Kyoung Tai
Publicado 2020

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

Development of an innovative data-driven system to generate descriptive prediction equation of dielectric constant on small sample sets

por Mao, Jiashun, Zeb, Amir, Kim, Min Sung, Jeon, Hyeon-Nae, Wang, Jianmin, Guan, Shenghui, 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

BMD42-2910, a Novel Benzoxazole Derivative, Shows a Potent Anti-prion Activity and Prolongs the Mean Survival in an Animal Model of Prion Disease

por Hyeon, Jae Wook, Noh, Ran, Choi, Jiwon, Lee, Sol Moe, Lee, Yeong Seon, An, Seong Soo A., No, Kyoung Tai, Lee, Jeongmin
Publicado 2020

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