1XQQ
Simultaneous determination of protein structure and dynamics
SOLUTION NMR
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| molecular dynamics | Dynamic ensemble refinement using previously published NOE derived distance restraints and 112 experimentally determined order parameters as input to ensemble simulations. | CHARMM |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | all calculated structures submitted |
| Conformers Calculated Total Number | 128 |
| Conformers Submitted Total Number | 128 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CHARMM | c30 | B.R.Brooks, R.E.Bruccoleri, B.D.Olafson, D.J.States, S.Swaminathan, M.Karplus |
