Our research group investigates how the sequence of biological building blocks—DNA, RNA, and amino acids—governs complex biophysical phenomena, including protein folding, sequence-specific recognition by DNA-binding proteins, self-assembly and phase separation of macromolecules, and transport through nanochannels. Biological building blocks differ by only a few atoms, and the interaction energies between them can vary by merely a few kT. Therefore, models with atomic resolution and kT-level accuracy are essential for capturing their behavior. The group’s primary goal is to develop such models by synergistically combining molecular dynamics (MD) simulation and AI methodologies. Our long-term vision is to extend MD simulations toward experimentally relevant time and length scales, enabling realistic modeling of complex cellular processes.
DeepFold-PLM: Accelerating Protein Structure Prediction via Efficient Homology Search Using Protein Language Models
We moved our group to the Korea Institute for Advanced Study.
We have open positions for postdocs in the fields of various computational and AI-based studies of biomolecular systems. Please contact me or apply at https://jobs.kias.re.kr.
Jaemin's paper in collaboration with Prof. Sangho Lee at SKKU, "Structural basis for malate-driven, pore lipid-regulated activation of the Arabidopsis vacuolar anion channel ALMT9"
2023 Dr. Jang joined the group
2023.3. Jaemin Yoo joined the group
2024.3. Kyeongpil Jo joined the group
2024.9. Gunwoo Kim joined the group
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앞으로 4년 동안 "Artificial intelligence for prediction of structure-based protein interaction reflecting physicochemical principles"에 참여하게 되었습니다.
연구에 참여할 대학원생 및 포스트닥은 연락주세요.
Three papers in collaboration with expeimentalists at Korea University and KRIBB.
"Single-molecule fingerprinting of protein-drug interaction using a funneled biological nanopore"
"Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM"
"Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel"
"Aggregation or phase separation can be induced in highly charged proteins by small charged biomolecules"
"DNA Sequence and Methylation Prescribe the Inside-Out Conformational Dynamics and Bending Energetics of DNA Minicircles"
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앞으로 4년 동안 "인공지능(AI) 혁신 허브 사업"에 참여하게 되었습니다.
AI를 이용한 단백질 구조 연구를 수행합니다.
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한국연구재단 개인연구지원사업(중견연구)에 선정되어 5년 동안 연구비를 지원받습니다.
연구주제는 "초고정밀 분자 모델링을 이용한 DNA 결합 단백질의 확산기작 규명"입니다.
“Molecular Dynamics Simulations of DNA-DNA and DNA-Protein Interactions”
“Improved Parameterization of Protein−DNA Interactions for Molecular Dynamics Simulations of PCNA Diffusion on DNA”
We're furnishing our lab with workstations powered by water-cooled RTX 2080 ti GPU cards. Water-cooled RTX 2080 ti (temperature below 50℃) is twice faster than air-cooled GTX 1080 ti (temperature over 80℃). See our benchmark page for details.
7 Apr 2020: We received 274,000 node-hour Nurion supercomputer time from National Supercomputing Center.
As of Mar 2020, Jejoong started a new position as an assistant professor at SKKU physics. Please contact Jejoong at jejoong@skku.edu for open positions for postdocs & graduate/undergraduate research assistants.
15 Aug 2018: Our 20-node cluster is finally functional. Each node has 48-core AMD Epyc CPU and 2 Nvidia 1080Ti GPU cards.
We have open positions for postdocs & undergraduate research assistants. Please contact Jejoong at jejoong@ibs.re.kr.
15 Jul 2018: Our paper on “Sequence-dependent DNA condensation as a driving force of DNA phase separation” was published in Nucleic Acids Research.
15 Apr 2018: Dr. Stefan Ivanov joined our team!
28 Feb 2018: We published a perspective in PCCP summarizing our (and others) efforts to improve the force fields.
Dec 2017: Sujae Jung joined our team as an undergraduate research assistant during winter!
Nov 2017: Sunjoo You joined our team as an undergraduate research assistant!
1 Aug 2017: Jejoong Yoo started working in the Center for Self-assembly & Complexity (CSC) at Institute for Basic Science (IBS).