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Force Field Bias in Protein Folding Simulations

✍ Scribed by Freddolino, Peter L.; Park, Sanghyun; Roux, Benoît; Schulten, Klaus

Book ID
119205640
Publisher
Biophysical Society
Year
2009
Tongue
English
Weight
497 KB
Volume
96
Category
Article
ISSN
0006-3495

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Protein folding simulation with solvent-induced force field: Folding pathway ensemble of three-helix-bundle proteins
✍ Shoji Takada 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 708 KB

We propose a coarse-grained model of proteins that take into account solvent effects and apply it for simulating folding of a three-helixbundle protein. The energy functional form, refined from our previous work (Takada et al., J Chem Phys 1999;110:11616 -11629), tries to closely imitate real physic