Time-averaging restraints in molecular dynamics simulations were introduced to account for the averaging implicit in spectroscopic data. Space- or molecule-averaging restraints have been used to overcome the fact that not all molecular conformations can be visited during the finite time of a simulat
✦ LIBER ✦
Protein Structure Refinement through Structure Selection and Averaging from Molecular Dynamics Ensembles
✍ Scribed by Mirjalili, Vahid; Feig, Michael
- Book ID
- 118169651
- Publisher
- American Chemical Society
- Year
- 2013
- Tongue
- English
- Weight
- 799 KB
- Volume
- 9
- Category
- Article
- ISSN
- 1549-9618
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