Improved side-chain torsion potentials for the Amber ff99SB protein force field
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Summary
A new force field, which is termed Amber ff99SB‐ILDN, exhibits considerably better agreement with the NMR data and is validated against a large set of experimental NMR measurements that directly probe side‐chain conformations.
- Type
- article
- Published
- 2010-03-09
- Cited by
- 5,870
- References
- 40
- Access
- Open access
- OpenAlex
- https://openalex.org/W2161605421
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:18138293
Keywords
Force field (fiction), Dihedral angle, Torsion (gastropod), Molecular dynamics, Side chain
References
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- Reversible multiple time scale molecular dynamics
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- Calcium-controlled conformational choreography in the N-terminal half of adseverin
- Contact- and distance-based principal component analysis of protein dynamics.
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