Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
The values of total potential energy, dihedral energy, their respective boost parameters b1, b2 and a1, a2 applied for aMD simulations.
| Boost Parameters (kcal mol−1) |
Folding Simulation of SlitCSP3, Iamd = 3 | SlitCSP3-Site1 with DIMBOA, Iamd = 1 | SlitCSP3-Site 2 with DIMBOA, iamd = 1 |
|---|---|---|---|
| EPtot | −48643 | −62150 | −62056 |
| Edihed | 1325 | 1408 | 1400 |
| a1, a2 | 4.0 | NA | NA |
| b1, b2 | 0.16 | 0.10 | 0.10 |
