Accurate proteome-wide missense variant effect prediction with AlphaMissense

J Cheng, G Novati, J Pan, C Bycroft, A Žemgulytė… - Science, 2023 - science.org
The vast majority of missense variants observed in the human genome are of unknown
clinical significance. We present AlphaMissense, an adaptation of AlphaFold fine-tuned on …

Proteingym: Large-scale benchmarks for protein fitness prediction and design

P Notin, A Kollasch, D Ritter… - Advances in …, 2024 - proceedings.neurips.cc
Predicting the effects of mutations in proteins is critical to many applications, from
understanding genetic disease to designing novel proteins to address our most pressing …

Screening Ultra-Large Encoded Compound Libraries Leads to Novel Protein–Ligand Interactions and High Selectivity

GW Collie, MA Clark, AD Keefe, A Madin… - Journal of Medicinal …, 2024 - ACS Publications
The DNA-encoded library (DEL) discovery platform has emerged as a powerful technology
for hit identification in recent years. It has become one of the major parallel workstreams for …

Maintaining genome integrity: Protein kinases and phosphatases orchestrate the balancing act of DNA double-strand breaks repair in cancer

S Qin, I Kitty, Y Hao, F Zhao, W Kim - International Journal of Molecular …, 2023 - mdpi.com
DNA double-strand breaks (DSBs) are the most lethal DNA damages which lead to severe
genome instability. Phosphorylation is one of the most important protein post-translation …

Wip1 inhibits neutrophil extracellular traps to promote abscess formation in mice by directly dephosphorylating Coronin-1a

Y Chen, C Zhao, H Guo, W Zou, Z Zhang… - Cellular & Molecular …, 2023 - nature.com
Neutrophil extracellular traps (NETs) participate in the rapid inhibition and clearance of
pathogens during infection; however, the molecular regulation of NET formation remains …

Ppm1d truncating mutations promote the development of genotoxic stress-induced AML

M Burocziova, P Danek, A Oravetzova, Z Chalupova… - Leukemia, 2023 - nature.com
Hematopoietic stem cells (HSCs) ensure blood cell production during the life-time of an
organism, and to do so they need to balance self-renewal, proliferation, differentiation, and …

[HTML][HTML] Proteingym: Large-scale benchmarks for protein design and fitness prediction

P Notin, AW Kollasch, D Ritter, L van Niekerk, S Paul… - bioRxiv, 2023 - ncbi.nlm.nih.gov
Predicting the effects of mutations in proteins is critical to many applications, from
understanding genetic disease to designing novel proteins that can address our most …

Genomics 2 Proteins portal: a resource and discovery tool for linking genetic screening outputs to protein sequences and structures

S Kwon, J Safer, DT Nguyen, D Hoksza, P May… - Nature …, 2024 - nature.com
Recent advances in AI-based methods have revolutionized the field of structural biology.
Concomitantly, high-throughput sequencing and functional genomics have generated …

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

A Meller, S De Oliveira, A Davtyan… - Frontiers in molecular …, 2023 - frontiersin.org
Virtual screening is a widely used tool for drug discovery, but its predictive power can vary
dramatically depending on how much structural data is available. In the best case, crystal …

[PDF][PDF] PPM1D modulates hematopoietic cell fitness and response to DNA damage and is a therapeutic target in myeloid malignancy

PG Miller, AS Sperling, C Mayerhofer, ME McConkey… - Blood, 2023 - ashpublications.org
PPM1D encodes a phosphatase that is recurrently activated across cancer, most notably in
therapy-related myeloid neoplasms. However, the function of PPM1D in hematopoiesis and …