Author

Sonya M. Hanson

3 papers indexed here

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Open access Sep 2026

cryoWEight: Conformational ensembles from cryo-EM particle images with weighted ensemble simulations

Atomistic simulations often struggle to capture the full conformational landscape of biomolecular complexes on experimentally relevant timescales, leaving gaps in our understanding of functionally relevant thermodynamics and kinetics. Cryo-electron microscopy (cryo-EM) provides high-resolution structural snapshots span...

Anupam Anand Ojha, Praveen Ranganath Prabhakar, I. Andricioaei et al. · bioRxiv · 0 citations

Open access Sep 2026

PySTARC: GPU-accelerated Brownian dynamics for bimolecular association rate constants

Drug-target association and dissociation rates often determine in vivo efficacy more than affinity alone. The association rate kon, however, is computationally challenging to predict since the productive encounter is a rare event in a large translational and orientational search space, which lies beyond the reach of co...

Anupam Anand Ojha, Gary A. Huber, S. Dutta et al. · bioRxiv · 0 citations

Open access Sep 2026

The CAHRA Challenge: A Community-Wide Assessment of Cryo-EM Heterogeneous Reconstruction Algorithms

The ability of cryo-electron microscopy (cryo-EM) to interrogate the atomic structure and motion of biomolecules has motivated the development of a wide range of algorithms for heterogeneity analysis. However, evaluating and comparing these methods remains challenging because ground-truth structures are generally unkno...

J. Feathers, Robert C. Heeter, Geoffrey Woollard et al. · bioRxiv · 2 citations