Machine learning-guided protein engineering
Recent progress in engineering highly promising biocatalysts has increasingly involved
machine learning methods. These methods leverage existing experimental and simulation …
machine learning methods. These methods leverage existing experimental and simulation …
Opportunities and challenges for machine learning-assisted enzyme engineering
Enzymes can be engineered at the level of their amino acid sequences to optimize key
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …
properties such as expression, stability, substrate range, and catalytic efficiency─ or even to …
AbDiffuser: full-atom generation of in-vitro functioning antibodies
K Martinkus, J Ludwiczak, WC Liang… - Advances in …, 2024 - proceedings.neurips.cc
We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint
generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new …
generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new …
GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics
We seek to transform how new and emergent variants of pandemic-causing viruses,
specifically SARS-CoV-2, are identified and classified. By adapting large language models …
specifically SARS-CoV-2, are identified and classified. By adapting large language models …
[HTML][HTML] Computational scoring and experimental evaluation of enzymes generated by neural networks
In recent years, generative protein sequence models have been developed to sample novel
sequences. However, predicting whether generated proteins will fold and function remains …
sequences. However, predicting whether generated proteins will fold and function remains …
Accelerating biocatalysis discovery with machine learning: a paradigm shift in enzyme engineering, discovery, and design
B Markus, K Andreas, K Arkadij, L Stefan, O Gustav… - ACS …, 2023 - ACS Publications
Emerging computational tools promise to revolutionize protein engineering for biocatalytic
applications and accelerate the development timelines previously needed to optimize an …
applications and accelerate the development timelines previously needed to optimize an …
Protein generation with evolutionary diffusion: sequence is all you need
Deep generative models are increasingly powerful tools for the in silico design of novel
proteins. Recently, a family of generative models called diffusion models has demonstrated …
proteins. Recently, a family of generative models called diffusion models has demonstrated …
[HTML][HTML] De novo protein design—From new structures to programmable functions
T Kortemme - Cell, 2024 - cell.com
Methods from artificial intelligence (AI) trained on large datasets of sequences and
structures can now" write" proteins with new shapes and molecular functions de novo …
structures can now" write" proteins with new shapes and molecular functions de novo …
Bilingual language model for protein sequence and structure
Advanced Artificial Intelligence (AI) enabled large language models (LLMs) to revolutionize
Natural Language Processing (NLP). Their adaptation to protein sequences spawned the …
Natural Language Processing (NLP). Their adaptation to protein sequences spawned the …
Accelerating the discovery and design of antimicrobial peptides with artificial intelligence
MC Aguilera-Puga, NL Cancelarich, MM Marani… - … drug discovery and …, 2023 - Springer
Peptides modulate many processes of human physiology targeting ion channels, protein
receptors, or enzymes. They represent valuable starting points for the development of new …
receptors, or enzymes. They represent valuable starting points for the development of new …