Seung-Cheol Lim

Chungbuk National University

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Jae-Seung Go

Young-Hwan Joo

Go-Whan Jin

Woosong University

Young-Hwan Joo

San Eamsot

Gyuchang Sim

Hyein Cho

Yonsei University

Hocheol Lim

Yonsei University

Kyoung Tai No

Yonsei University

심

심규창

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Yonsei University

Korea Research Institute of Chemical Technology

New York University

The Graduate Center, CUNY

City University of New York

Hunter College

Universidade de São Paulo

City College of New York

San Francisco State University

Government of the Republic of Korea

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

Computational and Structural Biotechnology Journal (2022)

Hocheol Lim Hyeon-Nae Jeon Seung-Cheol Lim Yuil Jang Taehee Kim

The importance of protein engineering in the research and development of biopharmaceuticals and biomaterials has increased. Machine learning in computer-aided protein engineering can markedly reduce the experimental effort in identifying optimal sequences that satisfy the desired properties from a large number of possible protein sequences. To develop general protein descriptors for computer-aided protein engineering tasks, we devised new protein descriptors, one sequence-based descriptor (PCgrades), and three structure-based descriptors (PCspairs, 3D-SPIEs_5.4 Å, and 3D-SPIEs_8Å). While the PCgrades and PCspairs include general and statistical information in physicochemical properties in single and pairwise amino acids respectively, the 3D-SPIEs include specific and quantum-mechanical information with parameterized quantum mechanical calculations (FMO2-DFTB3/D/PCM). To evaluate the protein descriptors, we made prediction models with the new descriptors and previously developed descriptors for diverse protein datasets including protein expression and binding affinity change in SARS-CoV-2 spike glycoprotein. As a result, the newly devised descriptors showed a good performance in diverse datasets, in which the PCspairs showed the best performance ( R2=0.783 for protein expression and R2=0.711 for binding affinity). As a result, the newly devised descriptors showed a good performance in diverse datasets, in which the PCspairs showed the best performance. Similar approaches with those descriptors would be promising and useful if the prediction models are trained with sufficient quantitative experimental data from high-throughput assays for industrial enzymes or protein drugs.

Protein Engineering

10.1016/j.csbj.2022.01.027

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Citations (14)

신경망을 적용한 재활훈련 측정용 대체 촉각 센서 연구

Seung-Cheol Lim Go-Whan Jin

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CNN 기법을 활용한 운전자 시선 사각지대 보조 시스템 설계 및 구현 연구

Seung-Cheol Lim Jae-Seung Go

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A Study on Improvement of Call Admission Control using Wireless Access Point Sharing

The Journal of the Institute of Webcasting, Internet and Telecommunication (2018)

Seung-Cheol Lim

Call Admission Control

10.7236/jiibc.2018.18.4.91

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Call Admission Control Scheme in Muti-cell System

The Journal of Korean Institute of Information Technology (2009)

Seung-Cheol Lim

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LTE-WiFi Vertical 핸드오버 효율향상 방안 연구

Young-Hwan Joo Seung-Cheol Lim

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A Study of Handoff Scheme Using Mutual Authentication between APs in Wireless LAN Environments

The Journal of Korean Institute of Information Technology (2010)

Seung-Cheol Lim

Mutual authentication

Wireless LAN controller

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A study on Improvement of BIS System using Bus congestion

The Journal of The Institute of Internet Broadcasting and Communication (2016)

Young-Hwan Joo Seung-Cheol Lim

10.7236/jiibc.2016.16.6.211

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A Study of Android Launcher based on Application Virtualization

Han'gug inteo'nes bangsong tongsin.TV haghoe nonmunji (2013)

Seung-Cheol Lim

Recently, Virtualization technology is moving the desktop environment from its place a mobile platform environment, personal and businesses, academia, and lacked security and in a team environment brought about many changes are coming. In this environment, a representative of VMware`s MVP solution and Enterporid Divide. But, another issue is that these mobile virtualization technologies in an environment of limited resources and performance constraints, have become its application virtualization technology to improve the weaknesses of the mobile platform. In this paper, proposed for client-based desktop application virtualization infrastructure, bring it to the Android environment, weaknesses of the existing paper was user area limitations of the desktop environment with application virtualization, program execution android application virtualization launcher was improved through increased resource allocation.

10.7236/jiibc.2013.13.2.115

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Application Study applied to the Encryption at Virtualization Launcher

The Journal of The Institute of Internet Broadcasting and Communication (2014)

Seung-Cheol Lim

10.7236/jiibc.2014.14.2.87

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