36 citations · 63 across the 4 of their papers we have counts for
5 papers
The microscope is the mask: privileged views and labels from a cryo-ET forward model
Bogdan Toader, Kiarash Jamali, Tanmay A. M. Bharat +1
We explore the use of simulated data for training a model for protein annotation in crowded cryo-electron tomography volumes reconstructed from images collected at limited tilt ang…
DBMol: Design of High-Affinity, Target-Specific Small Molecules through Structure Prediction Models
Yiming Qin, Kai Yi, Miruna Cretu +3
Designing small molecule ligands that bind with high affinity to specific protein pockets is a fundamental goal in drug discovery, as small molecules constitute a major fraction of…
All-atom inverse protein folding through discrete flow matching
Kai Yi, Kiarash Jamali, Sjors H. W. Scheres
The recent breakthrough of AlphaFold3 in modeling complex biomolecular interactions, including those between proteins and ligands, nucleotides, or metal ions, creates new opportuni…
Community recommendations on cryoEM data archiving and validation
Gerard J. Kleywegt, Paul D. Adams, Sarah J. Butcher +44
In January 2020, a workshop was held at EMBL-EBI (Hinxton, UK) to discuss data requirements for deposition and validation of cryoEM structures, with a focus on single-particle anal…
A Graph Neural Network Approach to Automated Model Building in Cryo-EM Maps
Kiarash Jamali, Dari Kimanius, Sjors H. W. Scheres
Electron cryo-microscopy (cryo-EM) produces three-dimensional (3D) maps of the electrostatic potential of biological macromolecules, including proteins. Along with knowledge about…