E-LIB Suche - Ergebnisse für: Barzilay, Regina

1

Diffusion models in protein structure and docking:

Yim, Jason ; Stärk, Hannes ; Corso, Gabriele...
WIREs Computational Molecular Science. 14 (2024) 2 - p. , 2024

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

2

Graph neural networks:

Corso, Gabriele ; Stark, Hannes ; Jegelka, Stefanie..
Nature Reviews Methods Primers. 4 (2024) 1 - p. , 2024

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

3

OpenChemIE: An Information Extraction Toolkit for Chemistry..:

Fan, Vincent ; Qian, Yujie ; Wang, Alex...
Journal of Chemical Information and Modeling. 64 (2024) 14 - p. 5521-5534 , 2024

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

4

InfoShape: Task-Based Neural Data Shaping via Mutual Inform..:

, In: ICASSP 2023 - 2023 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP),

Esfahanizadeh, Homa ; Wu, William ; Ghobadi, Manya.. - p. 1-5 , 2023

Link: https://doi.org/10.1109/..

5

De novo design of protein structure and function with RFdif..:

Watson, Joseph L. ; Juergens, David ; Bennett, Nathaniel R....
Nature. 620 (2023) 7976 - p. 1089-1100 , 2023

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

6

Autonomous, multiproperty-driven molecular discovery: From ..:

Koscher, Brent A. ; Canty, Richard B. ; McDonald, Matthew A....
Science. 382 (2023) 6677 - p. , 2023

Link: https://doi.org/10.1126/..

7

Role of sex in lung cancer risk prediction based on single ..:

Simon, Judit ; Mikhael, Peter ; Tahir, Ismail...
Scientific Reports. 13 (2023) 1 - p. , 2023

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

8

MolScribe: Robust Molecular Structure Recognition with Imag..:

Qian, Yujie ; Guo, Jiang ; Tu, Zhengkai...
Journal of Chemical Information and Modeling. 63 (2023) 7 - p. 1925-1934 , 2023

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

9

Deep learning-guided discovery of an antibiotic targeting A..:

Liu, Gary ; Catacutan, Denise B. ; Rathod, Khushi...
Nature Chemical Biology. 19 (2023) 11 - p. 1342-1350 , 2023

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

10

Author Correction: Distinct chemical environments in biomol..:

Kilgore, Henry R. ; Mikhael, Peter G. ; Overholt, Kalon J....
Nature Chemical Biology. 19 (2023) 12 - p. 1561-1561 , 2023

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

11

Distinct chemical environments in biomolecular condensates:

Kilgore, Henry R. ; Mikhael, Peter G. ; Overholt, Kalon J....
Nature Chemical Biology. 20 (2023) 3 - p. 291-301 , 2023

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

12

Blind protein-ligand docking with diffusion-based deep gene..:

Corso, Gabriele ; Jing, Bowen ; Stark, Hannes..
Biophysical Journal. 122 (2023) 3 - p. 143a , 2023

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

13

RxnScribe: A Sequence Generation Model for Reaction Diagram..:

Qian, Yujie ; Guo, Jiang ; Tu, Zhengkai..
Journal of Chemical Information and Modeling. 63 (2023) 13 - p. 4030-4041 , 2023

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

14

Evaluation of a prototype machine learning tool to semi-aut..:

Panayi, Antonia ; Ward, Katherine ; Benhadji-Schaff, Amir...
Systematic Reviews. 12 (2023) 1 - p. , 2023

Link: https://doi.org/10.1186/..

15

Generating molecules with optimized aqueous solubility usin..:

Bilodeau, Camille ; Jin, Wengong ; Xu, Hongyun...
Reaction Chemistry & Engineering. 7 (2022) 2 - p. 297-309 , 2022

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