Table 1 Strengths and Limitations of Structure Elucidating Methods

From: NMR-driven structure-based drug discovery by unveiling molecular interactions

Methods

MW Limit

Resolution

Conformational Dynamics

High-throughput Viable

Hydrogen Information

X-ray Crystallography

No

High resolution ( ~ 1 Å)

No

Yes

No

NMR Spectroscopy

>80 kDa

High resolution ( ~ 1-2 Å)

Yes

Yes

Yes

Cryo-EM

<50 kDa

Medium-high resolution ( ~ 2-5 Å)

Yes

No

Yes

  1. Strengths and Limitations of the three main structure elucidating methods employed in drug discovery based on the number of structures deposited to the Protein Data Bank (RCSB.org)83. As of writing of this manuscript the number of protein structures solved via different biophysical techniques were X-ray: 188k, EM: 24k, Solution NMR: 12.7k, Electron-Crystallography: 239, Neutron Diffraction: 224, Solid State NMR: 180.
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