Comparing active site sequence representations for kinase-ligand affinity prediction
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Fall 2022
Publications
750 results for Life Sciences
Predicting HLA-peptide complex immunogenicity with molecular dynamics and graph convolutional deep learning
- 2022
- ACS Fall 2022
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
CASTELO — a combined machine learning and molecular modeling for drug discovery and protein-protein interaction optimization
- 2022
- ACS Fall 2022
Attempting Activity Modulation by Graph-based Small-Molecule Generative Modeling: Analysis on Training and Seed Bias and Implication of AI-driven Drug Discovery
- Seung Gu Kang
- 2022
- ACS Fall 2022
Guiding multistep retrosynthesis planning with continuous pathway representations
- Jannis Born
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
A Fully Differentiable Set Autoencoder
- Nikita Janakarajan
- Jannis Born
- et al.
- 2022
- KDD 2022
Multimodal Prediction of Five-Year Breast Cancer Recurrence in Women Who Receive Neoadjuvant Chemotherapy
- Simona Rabinovici-Cohen
- Xosé M. Fernández
- et al.
- 2022
- Cancers
Two-age islet-autoantibody screening for childhood type 1 diabetes: a prospective cohort study
- Mohamed Ghalwash
- Jessica L Dunne
- et al.
- 2022
- The Lancet Diabetes & Endocrinology
scQUEST: Quantifying tumor ecosystem heterogeneity from mass or flow cytometry data
- Adriano Luca Martinelli
- Johanna Wagner
- et al.
- 2022
- STAR Protocols