Woo Youn Kim

Korea Advanced Institute of Science and Technology

H指数:38

被引数:7,255

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Autonomous bioisosteric replacement for multi-property optimization in drug design

自主生物电子等排体替换在药物设计中的多属性优化

Nature Communications

IF15.7

2026-07-270

Harnessing generative AI for efficient organic materials discovery in low-data regimes

利用生成式人工智能在低数据环境下高效发现有机材料

Digital Discovery

IF5.6

2026-03-020

OAAI

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

3-desoxycollinoketone B的合成及其降低阿尔茨海默病相关错误折叠蛋白的能力

Nature Communications

IF15.7

2026-02-270

OAAI

Riemannian denoising model for molecular structure optimization with chemical accuracy

用于分子结构优化的具有化学精度的黎曼几何去噪模型

Nature Computational Science

IF18.3

2026-01-020

PRE

MetalloGen: Automated 3D Conformer Generation for Diverse Coordination Complexes

MetalloGen: 用于多样化配位配合物的自动化3D构象生成

Journal of Chemical Information and Modeling

IF5.3

2025-10-280

PRE

BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design

BInD: 基于结构的多目标药物设计的键和相互作用产生扩散模型

Advanced Science

IF14.1

2025-07-110

OAAI

Machine-Learning-Based Design of Metallocene Catalysts for Controlled Olefin Copolymerization

基于机器学习的设计：用于可控烯烃共聚的茂金属催化剂

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2025-05-070

Facilitating Transition State Search with Minimal Conformational Sampling Using Reaction Graph

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-02-250

PRE

Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-08-270

OAAI

3D molecular generative framework for interaction-guided drug design

NATURE COMMUNICATIONS

IF15.7

2024-03-276

OAAI

Toward generalizable structure-based deep learning models for protein-ligand interaction prediction: Challenges and strategies

基于广义结构的蛋白质-配体相互作用预测深度学习模型: 挑战与策略

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2024-02-250

PRE

Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery

基于深度学习的化学相似性加速有机发光二极管材料发现

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-01-251

PRE

Diffusion-based generative AI for exploring transition states from 2D molecular graphs

NATURE COMMUNICATIONS

IF15.7

2024-01-067

OAAI

PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening

CHEMICAL SCIENCE

IF7.4

2024-01-010

OAAI

Accelerated chemical science with AI

用AI加速化学科学

DIGITAL DISCOVERY

IF5.6

2024-01-0123

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

DIGITAL DISCOVERY

IF5.6

2024-01-0113

Critical role of electrons in the short lifetime of blue OLEDs

NATURE COMMUNICATIONS

IF15.7

2023-11-182

OAAI

Computer Programs Physics pyMCD: Python package for searching transition states via the multicoordinate driven method

计算机程序物理pyMCD: 用于通过多坐标驱动方法搜索过渡状态的Python包

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2023-10-011

PRE

DFRscore: Deep Learning-Based Scoring of Synthetic Complexity with Drug-Focused Retrosynthetic Analysis for High-Throughput Virtual Screening

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-08-316

PRE

Dynamic Precision Approach for Accelerating Large-Scale Eigenvalue Solvers in Electronic Structure Calculations on Graphics Processing Units

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-02-222

PRE

Woo Youn Kim

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