6 papers
CryoHype: Reconstructing a thousand cryo-EM structures with transformer-based hypernetworks
Jeffrey Gu, Minkyu Jeon, Ambri Ma +2
Cryo-electron microscopy (cryo-EM) is an indispensable technique for determining the 3D structures of dynamic biomolecular complexes. While typically applied to image a single mole…
Atomic Diffusion Models for Small Molecule Structure Elucidation from NMR Spectra
Ziyu Xiong, Yichi Zhang, Foyez Alauddin +4
Nuclear Magnetic Resonance (NMR) spectroscopy is a cornerstone technique for determining the structures of small molecules and is especially critical in the discovery of novel natu…
Multiscale guidance of protein structure prediction with heterogeneous cryo-EM data
Rishwanth Raghu, Axel Levy, Gordon Wetzstein +1
Protein structure prediction models are now capable of generating accurate 3D structural hypotheses from sequence alone. However, they routinely fail to capture the conformational…
Solving Inverse Problems in Protein Space Using Diffusion-Based Priors
Axel Levy, Eric R. Chan, Sara Fridovich-Keil +3
The interaction of a protein with its environment can be understood and controlled via its 3D structure. Experimental methods for protein structure determination, such as X-ray cry…
CryoBench: Diverse and challenging datasets for the heterogeneity problem in cryo-EM
Minkyu Jeon, Rishwanth Raghu, Miro Astore +6
Cryo-electron microscopy (cryo-EM) is a powerful technique for determining high-resolution 3D biomolecular structures from imaging data. Its unique ability to capture structural va…
Mixture of neural fields for heterogeneous reconstruction in cryo-EM
Axel Levy, Rishwanth Raghu, David Shustin +5
Cryo-electron microscopy (cryo-EM) is an experimental technique for protein structure determination that images an ensemble of macromolecules in near-physiological contexts. While…