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 and artificial intelligence-based methods for antibody development
Due to their high target specificity and binding affinity, therapeutic antibodies are currently
the largest class of biotherapeutics. The traditional largely empirical antibody development …
the largest class of biotherapeutics. The traditional largely empirical antibody development …
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 …
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 …
[HTML][HTML] Illuminating protein space with a programmable generative model
Three billion years of evolution has produced a tremendous diversity of protein molecules,
but the full potential of proteins is likely to be much greater. Accessing this potential has …
but the full potential of proteins is likely to be much greater. Accessing this potential has …
Generalized biomolecular modeling and design with RoseTTAFold All-Atom
Deep-learning methods have revolutionized protein structure prediction and design but are
presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which …
presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which …
Antigen-specific antibody design and optimization with diffusion-based generative models for protein structures
Antibodies are immune system proteins that protect the host by binding to specific antigens
such as viruses and bacteria. The binding between antibodies and antigens is mainly …
such as viruses and bacteria. The binding between antibodies and antigens is mainly …
[PDF][PDF] Language models of protein sequences at the scale of evolution enable accurate structure prediction
Large language models have recently been shown to develop emergent capabilities with
scale, going beyond simple pattern matching to perform higher level reasoning and …
scale, going beyond simple pattern matching to perform higher level reasoning and …
Progen2: exploring the boundaries of protein language models
Attention-based models trained on protein sequences have demonstrated incredible
success at classification and generation tasks relevant for artificial-intelligence-driven …
success at classification and generation tasks relevant for artificial-intelligence-driven …
Hallucinating symmetric protein assemblies
Deep learning generative approaches provide an opportunity to broadly explore protein
structure space beyond the sequences and structures of natural proteins. Here, we use deep …
structure space beyond the sequences and structures of natural proteins. Here, we use deep …