Scientific discovery in the age of artificial intelligence
Artificial intelligence (AI) is being increasingly integrated into scientific discovery to augment
and accelerate research, helping scientists to generate hypotheses, design experiments …
and accelerate research, helping scientists to generate hypotheses, design experiments …
[HTML][HTML] Computational approaches streamlining drug discovery
AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …
have seen a tectonic shift towards embracing computational technologies in both academia …
Evolutionary-scale prediction of atomic-level protein structure with a language model
Recent advances in machine learning have leveraged evolutionary information in multiple
sequence alignments to predict protein structure. We demonstrate direct inference of full …
sequence alignments to predict protein structure. We demonstrate direct inference of full …
InterPro in 2022
T Paysan-Lafosse, M Blum, S Chuguransky… - Nucleic acids …, 2023 - academic.oup.com
Abstract The InterPro database (https://www. ebi. ac. uk/interpro/) provides an integrative
classification of protein sequences into families, and identifies functionally important …
classification of protein sequences into families, and identifies functionally important …
[HTML][HTML] De novo design of protein structure and function with RFdiffusion
There has been considerable recent progress in designing new proteins using deep-
learning methods,,,,,,,–. Despite this progress, a general deep-learning framework for protein …
learning methods,,,,,,,–. Despite this progress, a general deep-learning framework for protein …
Dali server: structural unification of protein families
L Holm - Nucleic acids research, 2022 - academic.oup.com
Protein structure is key to understanding biological function. Structure comparison deciphers
deep phylogenies, providing insight into functional conservation and functional shifts during …
deep phylogenies, providing insight into functional conservation and functional shifts during …
Accurate structure prediction of biomolecular interactions with AlphaFold 3
The introduction of AlphaFold 21 has spurred a revolution in modelling the structure of
proteins and their interactions, enabling a huge range of applications in protein modelling …
proteins and their interactions, enabling a huge range of applications in protein modelling …
Robust deep learning–based protein sequence design using ProteinMPNN
Although deep learning has revolutionized protein structure prediction, almost all
experimentally characterized de novo protein designs have been generated using …
experimentally characterized de novo protein designs have been generated using …
RCSB Protein Data Bank (RCSB. org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from …
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …
Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii
Acinetobacter baumannii is a nosocomial Gram-negative pathogen that often displays
multidrug resistance. Discovering new antibiotics against A. baumannii has proven …
multidrug resistance. Discovering new antibiotics against A. baumannii has proven …