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Synthesis of 3-desoxycollinoketone B and its ability to reduce Alzheimer-associated misfolded proteins

Seongrok Heo, Minhae Cha, Wonho Zhung, JiMin Kim, Sirisuk Keereewan, Illhwan Cho, MinSeol Park, Wonbin Seo, Heewon Shin, Soljee Yoon, Suhyun Ye, Jae-Kyung Heo, Hayoung Hwang, Woo Youn Kim, YoungSoo Kim, Sunkyu Han

KAIST김우연

Atom-level Protein Representation Learning Improves Protein Structure Prediction

Taewon Kim, Hyosoon Jang, Hyunjin Seo, Seonghwan Seo, Hyeongwoo Kim, Wonho Zhung, Mingyeong Shin, Woo Youn Kim, Sungsoo Ahn

KAIST안성수

A machine learning framework for predicting and modulating condition-dependent protein phase separation

Jangwon Bae†, Minjun Kang, Donghyuk Lee, Kuk-Jin Yoon†, Yongwon Jung†

KAIST윤국진

De novo epitope-specific antibody design via time-dependent guidance

Yunji Kim, Minkyung Baek*

SNU백민경

Tokenizing Antibody-Antigen Complex Structures via Energy-Based Surrogates

Junseok Lee, Yunhak Oh, Namkyeong Lee, Hyunchul Kim, Chanyoung Park

KAIST박찬영

Predicting protein-protein interactions in the human proteome

Jing Zhang, Ian R Humphreys, Jimin Pei, Jinuk Kim, Chulwon Choi, Rongqing Yuan, Jesse Durham, Siqi Liu, Hee-Jung Choi, Minkyung Baek, David Baker, Qian Cong

SNU백민경

Rapid and accurate prediction of protein homo-oligomer symmetry using Seq2Symm

Meghana Kshirsagar*, Artur Meller, Ian R. Humphreys, Samuel Sledzieski, Yixi Xu, Rahul Dodhia, Eric Horvitz, Bonnie Berger, Gregory R. Bowman, Juan Lavista Ferres, David Baker, Minkyung Baek*

SNU백민경

CheapNet: Cross-attention on Hierarchical representations for Efficient protein-ligand binding Affinity Prediction

Lim H, Kim S, Lee S

SNU김선

LightNobel: Improving Sequence Length Limitation in Protein Structure Prediction Model via Adaptive Activation Quantization

Seunghee Han, Soongyu Choi, Joo-Young Kim

KAIST김주영

Advancing protein structure prediction beyond AlphaFold2

Sanggeun Park#, Sojung Myung#, Minkyung Baek*

SNU백민경

AI-Guided Discovery and Optimization of Antimicrobial Peptides Through Species-Aware Language Model

Daehun Bae, Minsang Kim, Jiwon Seo, Hojung Nam

Yonsei남호정

Reinforcement learning with low-rank adaptation for targeted antimicrobial peptide design

Juntae Park, Daehun Bae, Bongsung Bae, Hojung Nam

Yonsei남호정

Exploring the potential of compound-protein complex structure-free models in virtual screening using BlendNet

Sangmin Seo, Hwanhee Kim, Jieun Lee, Seungyeon Choi, Sanghyun Park

Yonsei박상현

TheProtein: Evolutionarily Informed Graph-Surface Protein Representation

Seungyong Lee, Seungyeon Choi, Hwanhee Kim, Hyoungjoon Park, Yoonju Kim, Hyunseo Yang, Sanghyun Park

Yonsei박상현

Hybrid Local-Global GNN for Protein Binding Interface Prediction via Ensemble Learning

Deok-Joong Lee, Dong-Hee Shin, Young-Han Son, Tae-Eui Kam

KU감태의

Accurate prediction of protein–nucleic acid complexes using RoseTTAFoldNA

Minkyung Baek, Ryan McHugh, Ivan Anishchenko, Hanlun Jiang, David Baker, Frank DiMaio

SNU백민경

Protein interactions in human pathogens revealed through deep learning

Ian R. Humphreys#, Jing Zhang#, Minkyung Baek#,*, Yaxi Wang#, Aditya Krishnakumar, Jimin Pei, Ivan Anishchenko, Catherine A. Tower, Blake A. Jackson, Thulasi Warrier, Deborah T. Hung, S. Brook Peterson, Joseph D. Mougous, Qian Cong*, Dav...

SNU백민경

Decoupled Sequence and Structure Generation for Realistic Antibody Design

Nayoung Kim, Minsu Kim, Sungsoo Ahn, Jinkyoo Park

KAIST안성수

PIDiff: Physics Informed Diffusion Model for Protein Pocket-Specific 3D Molecular Generation

Seungyeon Choi, Sangmin Seo, Byungju Kim, Chihyun Park, Sanghyun Park

Yonsei박상현

PretrainedBA: Enhancing Compound-Protein Binding Affinity Prediction Accuracy via Pre-training Large-Scale Interaction Information

Sangmin Seo, Seungyeon Choi, Hwanhee Kim, Sanghyun Park

Yonsei박상현

Pseq2Sites: Enhancing protein sequence-based ligand binding-site prediction accuracy via the deep convolutional network and attention mechanism

Sangmin Seo, Jonghwan Choi, Seungyeon Choi, Jieun Lee, Chihyun Park, Sanghyun Park

Yonsei박상현

Dual Representation Learning for Predicting Drug-side Effect Frequency using Protein Target Information

Park S, Lee S, Pak M, Kim S

SNU김선

Identification of VWA5A as a novel biomarker for inhibiting metastasis in breast cancer by machine-learning based protein prioritization

Koh J, Jeong D, Park SY, Han D, Kim DS, Kim HY, Kim H, Yang S, Kim S, Ryu HS

SNU김선

NCIDiff: Non-covalent Interaction-generative Diffusion Model for Improving Reliability of 3D Molecule Generation Inside Protein Pocket

Joongwon Lee, Wonho Zhung, Woo Youn Kim

KAIST김우연

PIGNet2: a versatile deep learning-based protein–ligand interaction prediction model for binding affinity scoring and virtual screening

Seokhyun Moon, Sang-Yeon Hwang, Jaechang Lim, Woo Youn Kim

KAIST김우연

Cross-modal embedding integrator for disease-gene/protein association prediction using a multi-head attention mechanism

Munyoung Chang, Junyong Ahn, Bong Gyun Kang, Sungroh Yoon

SNU윤성로

De novo design of protein structure and function with RFdiffusion

Joseph L Watson, David Juergens, Nathaniel R Bennett, Brian L Trippe, Jason Yim, Helen E Eisenach, Woody Ahern, Andrew J Borst, Robert J Ragotte, Lukas F Milles, Basile IM Wicky, Nikita Hanikel, Samuel J Pellock, Alexis Courbet, William ...

SNU백민경

Improving de novo protein binder design with deep learning

Nathaniel R Bennett, Brian Coventry, Inna Goreshnik, Buwei Huang, Aza Allen, Dionne Vafeados, Ying Po Peng, Justas Dauparas, Minkyung Baek, Lance Stewart, Frank DiMaio, Steven De Munck, Savvas N Savvides, David Baker

SNU백민경

Peptide-binding specificity prediction using fine-tuned protein structure prediction networks

Amir Motmaen, Justas Dauparas, Minkyung Baek, Mohamad H Abedi, David Baker, Philip Bradley

SNU백민경

Top-down design of protein architectures with reinforcement learning

Isaac D Lutz, Shunzhi Wang, Christoffer Norn, Alexis Courbet, Andrew J Borst, Yan Ting Zhao, Annie Dosey, Longxing Cao, Jinwei Xu, Elizabeth M Leaf, Catherine Treichel, Patrisia Litvicov, Zhe Li, Alexander D Goodson, Paula Rivera-Sánchez...

SNU백민경