Jiho Sim

Ph.D. Student, Seoul National University

j2hosim@snu.ac.kr

Bio

I believe that to understand biology, we have to understand the interactions between biomolecules. I develop tools for understanding and predicting such interactions. I'm also interested in expanding my research domain to other data types such as genomics. Also interested in agentic systems and I am very excited to see how AI can be used to accelerate scientific discovery and facilitate the actual bottlencks in drug discovery!

Currently a Ph.D. Student (M.S. - Ph.D. Integrated Program) at Seoul National University, advised by Prof. Chaok Seok

Publications

Most recent publications on Google Scholar.
‡ indicates equal contribution.

HProteome-BSite: predicted binding sites and ligands in human 3D proteome

Jiho Sim, Sohee Kwon, Chaok Seok

NAR. 2023.

Paper

Deep learning molecular interaction motifs from Receptor structure alone

Seeun Kim, Simaek Oh, Hyeonuk Woo, Jiho Sim, Chaok Seok, Hahnbeom Park

J Cheminform. 2025.

Paper

Precision at Every Scale: Efficiency in AI-Driven De Novo Antibody Design

Hyeonjin Cha, Kyesoo Cho, Jeonghyeon Gu, ..., Chaok Seok, Jiho Sim, Moo Young Song, ...

bioRxiv. 2026.

Paper

MitoAtlas: a Domain-Resolved Spatial Map of the Human Mitochondrial Proteome

Jiwoong Kang, Sanghee Shin, Chulhwan Kwak, Song-Yi Lee, Minkyo Jung, Hanseul Lee, Myeong-Gyun Kang, Jiho Sim, Seung-Jae V. Lee, Ji Young Mun, Jong-Seo Kim, Hyun-Woo Rhee

biorxiv. 2026.

Paper

HProteome-BSite: predicted binding sites and ligands in human 3D proteome

Jiho Sim, Sohee Kwon, Chaok Seok

NAR. 2023.

Paper

Deep learning molecular interaction motifs from Receptor structure alone

Seeun Kim, Simaek Oh, Hyeonuk Woo, Jiho Sim, Chaok Seok, Hahnbeom Park

J Cheminform. 2025.

Paper

Precision at Every Scale: Efficiency in AI-Driven De Novo Antibody Design

Hyeonjin Cha, Kyesoo Cho, Jeonghyeon Gu, ..., Chaok Seok, Jiho Sim, Moo Young Song, ...

bioRxiv. 2026.

Paper

MitoAtlas: a Domain-Resolved Spatial Map of the Human Mitochondrial Proteome

Jiwoong Kang, Sanghee Shin, Chulhwan Kwak, Song-Yi Lee, Minkyo Jung, Hanseul Lee, Myeong-Gyun Kang, Jiho Sim, Seung-Jae V. Lee, Ji Young Mun, Jong-Seo Kim, Hyun-Woo Rhee

biorxiv. 2026.

Paper

ECPAS/Ecm29-mediated 26S proteasome disassembly is an adaptive response to glucose starvation

Won Hoon Choi, Yejin Yun, Insuk Byun, Sumin Kim, Seho Lee, Jiho Sim, Shahar Levi, Seo Hyeong Park, Jeongmoo Jun, Oded Kleifeld, Kwang Pyo Kim, Dohyun Han, Tomoki Chiba, Chaok Seok, Yong Tae Kwon, Michael H Glickman, Min Jae Lee

Cell Reports. 2023.

Paper

Projects

CoScientist
CoScientist

Multi-agent framework for autonomous scientific discovery — 1st Place, Bio-AI Co-Scientist Competition (2025)

MotifScreenK (MSK)
MotifScreenK (MSK)

Deep learning–based virtual screening, API server (2025)

Vita

Full Resume in PDF.

Jiho Sim
j2hosim@snu.ac.kr