5 citations · 9 across the 6 of their papers we have counts for
3 papers · 1 filter
Inference-time optimization for experiment-grounded protein ensemble generation
Advaith Maddipatla, Anar Rzayev, Marco Pegoraro +5
Protein function relies on dynamic conformational ensembles, yet current generative models like AlphaFold3 often fail to produce ensembles that match experimental data. Recent expe…
Representing local protein environments with machine learning force fields
Meital Bojan, Sanketh Vedula, Advaith Maddipatla +5
The local structure of a protein strongly impacts its function and interactions with other molecules. Therefore, a concise, informative representation of a local protein environmen…
Inverse problems with experiment-guided AlphaFold
Advaith Maddipatla, Nadav Bojan Sellam, Meital Bojan +4
Proteins exist as a dynamic ensemble of multiple conformations, and these motions are often crucial for their functions. However, current structure prediction methods predominantly…