3 citations · 3 across the 1 of their papers we have counts for
3 papers
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…
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…
Generative modeling of protein ensembles guided by crystallographic electron densities
Sai Advaith Maddipatla, Nadav Bojan Sellam, Sanketh Vedula +2
Proteins are dynamic, adopting ensembles of conformations. The nature of this conformational heterogenity is imprinted in the raw electron density measurements obtained from X-ray…