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BackDiff: a diffusion model for generalized transferable protein backmapping
Published in arXiv preprint, 2023
A diffusion model for generalized, transferable backmapping of coarse-grained protein structures to atomistic detail.
A compartment model for subcutaneous injection of monoclonal antibodies
Published in International Journal of Pharmaceutics, 2024
A compartment model describing the subcutaneous injection and absorption of monoclonal antibodies.
Unbiasing enhanced sampling on a high-dimensional free energy surface with a deep generative model
Published in The Journal of Physical Chemistry Letters, 2024
A deep generative model approach to unbias enhanced sampling on high-dimensional free energy surfaces.
ESMAdam: a plug-and-play all-purpose protein ensemble generator
Published in bioRxiv, 2025
A plug-and-play, all-purpose generator for protein structural ensembles.
ExEnDiff: an experiment-guided diffusion model for protein conformational ensemble generation
Published in PRX Life, 2025
An experiment-guided diffusion model that generates protein conformational ensembles consistent with experimental observables.
ProTDyn: a foundation protein language model for thermodynamics and dynamics generation
Published in International Conference on Learning Representations (ICLR), 2026
A foundation protein language model for jointly generating protein thermodynamics and dynamics.
ConformFlow: scalable normalizing flow for protein conformational ensemble generation
Published in bioRxiv, 2026
A scalable normalizing flow for generating protein conformational ensembles.