E-LIB Suche - Ergebnisse für: Kim, Woo Youn

1

PIGNet2: a versatile deep learning-based protein–ligand int..:

Moon, Seokhyun ; Hwang, Sang-Yeon ; Lim, Jaechang.
Digital Discovery. 3 (2024) 2 - p. 287-299 , 2024

Link: https://doi.org/10.1039/..

2

Diffusion-based generative AI for exploring transition stat..:

Kim, Seonghwan ; Woo, Jeheon ; Kim, Woo Youn
Nature Communications. 15 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

3

Toward generalizable structure‐based deep learning models f..:

Moon, Seokhyun ; Zhung, Wonho ; Kim, Woo Youn
WIREs Computational Molecular Science. 14 (2024) 1 - p. , 2024

Link: https://doi.org/10.1002/..

4

Accelerated chemical science with AI:

Back, Seoin ; Aspuru-Guzik, Alán ; Ceriotti, Michele...
Digital Discovery. 3 (2024) 1 - p. 23-33 , 2024

Link: https://doi.org/10.1039/..

5

Deep Learning-Based Chemical Similarity for Accelerated Org..:

Kim, Hyeonsu ; Lee, Kyunghoon ; Kim, Jun Hyeong.
Journal of Chemical Information and Modeling. 64 (2024) 3 - p. 677-689 , 2024

Link: https://doi.org/10.1021/..

6

3D molecular generative framework for interaction-guided dr..:

Zhung, Wonho ; Kim, Hyeongwoo ; Kim, Woo Youn
Nature Communications. 15 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

7

Molecular Generative Model via Retrosynthetically Prepared ..:

Seo, Seonghwan ; Lim, Jaechang ; Kim, Woo Youn
Advanced Science. 10 (2023) 8 - p. , 2023

Link: https://doi.org/10.1002/..

8

pyMCD: Python package for searching transition states via t..:

Lee, Kyunghoon ; Kim, Jun Hyeong ; Kim, Woo Youn
Computer Physics Communications. 291 (2023) - p. 108831 , 2023

Link: https://doi.org/10.1016/..

9

DFRscore: Deep Learning-Based Scoring of Synthetic Complexi..:

Kim, Hyeongwoo ; Lee, Kyunghoon ; Kim, Chansu..
Journal of Chemical Information and Modeling. 64 (2023) 7 - p. 2432-2444 , 2023

Link: https://doi.org/10.1021/..

10

Molecular Generative Model via Retrosynthetically Prepared ..:

Seo, Seonghwan ; Lim, Jaechang ; Kim, Woo Youn
Advanced Science. 10 (2023) 8 - p. , 2023

Link: https://doi.org/10.1002/..

11

Critical role of electrons in the short lifetime of blue OL..:

Kim, Jaewook ; Kim, Joonghyuk ; Kim, Yongjun...
Nature Communications. 14 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

12

Gaussian-Approximated Poisson Preconditioner for Iterative ..:

Woo, Jeheon ; Kim, Seonghwan ; Kim, Woo Youn
The Journal of Physical Chemistry A. 127 (2023) 17 - p. 3883-3893 , 2023

Link: https://doi.org/10.1021/..

13

Dynamic Precision Approach for Accelerating Large-Scale Eig..:

Woo, Jeheon ; Kim, Seonghwan ; Kim, Woo Youn
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

14

System-Specific Separable Basis Based on Tucker Decompositi..:

Woo, Jeheon ; Kim, Woo Youn ; Choi, Sunghwan
Journal of Chemical Theory and Computation. 18 (2022) 5 - p. 2875-2884 , 2022

Link: https://doi.org/10.1021/..

15

Effect of molecular representation on deep learning perform..:

Kim, Jun Hyeong ; Kim, Hyeonsu ; Kim, Woo Youn
Bulletin of the Korean Chemical Society. 43 (2022) 5 - p. 645-649 , 2022

Link: https://doi.org/10.1002/..