[HTML][HTML] Challenges and compromises: Predicting unbound antibody structures with deep learning
A Greenshields-Watson, O Vavourakis… - Current Opinion in …, 2025 - Elsevier
Therapeutic antibodies are manufactured, stored and administered in the free state; this
makes understanding the unbound form key to designing and improving development …
makes understanding the unbound form key to designing and improving development …
Towards deep learning sequence-structure co-generation for protein design
C Wang, S Alamdari, C Domingo-Enrich… - ar** to tackle biotechnological challenges of the 21st …
Scalable emulation of protein equilibrium ensembles with generative deep learning
Following the sequence and structure revolutions, predicting the dynamical mechanisms of
proteins that implement biological function remains an outstanding scientific challenge …
proteins that implement biological function remains an outstanding scientific challenge …
Outsourced diffusion sampling: Efficient posterior inference in latent spaces of generative models
Any well-behaved generative model over a variable $\mathbf {x} $ can be expressed as a
deterministic transformation of an exogenous ('outsourced') Gaussian noise variable …
deterministic transformation of an exogenous ('outsourced') Gaussian noise variable …
Reinforcement Learning for Sequence Design Leveraging Protein Language Models
Protein sequence design, determined by amino acid sequences, are essential to protein
engineering problems in drug discovery. Prior approaches have resorted to evolutionary …
engineering problems in drug discovery. Prior approaches have resorted to evolutionary …
Generative Flow Networks: Theory and Applications to Structure Learning
T Deleu - arxiv preprint arxiv:2501.05498, 2025 - arxiv.org
Without any assumptions about data generation, multiple causal models may explain our
observations equally well. To avoid selecting a single arbitrary model that could result in …
observations equally well. To avoid selecting a single arbitrary model that could result in …