Native contacts determine protein folding mechanisms in atomistic simulations

By Robert B. Best, Gerhard Hummer, W. Eaton. 2013

628 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Spectroscopy

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. Anima Anandkumar
2. Weili Nie
3. Arash Vahdat
4. Thomas F. Miller
5. Zhuoran Qiao

In Molecular Biology

1. Anima Anandkumar
2. Weili Nie
3. Arash Vahdat
4. Thomas F. Miller
5. Zhuoran Qiao

In Spectroscopy

1. Thomas F. Miller

Citations in the corpus

• State-specific protein–ligand complex structure prediction with a multiscale deep generative model (2022, positive): “To further elucidate the state specificity of model predictions for regions that undergo major structural changes upon ligand binding, we introduce a weighted version of the Q -factor from Best and Hummer 48 (Methods, ‘Structure accuracy metrics’).”
• Dynamic-Backbone Protein-Ligand Structure Prediction with Multiscale Generative Diffusion Models (2022, background): “We note that native contact analysis algorithms [51] may provide improved metrics for interpreting protein generative models and consider that a future direction.”