User contributions for 84.178.117.174
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9 February 2009
- 01:3501:35, 9 February 2009 diff hist +12 Torsion angle dynamics →Time step
- 01:3401:34, 9 February 2009 diff hist +116 Torsion angle dynamics →Time step
- 00:3800:38, 9 February 2009 diff hist +2 Torsion angle dynamics →Forces = torques = –gradient of the target function
- 00:3700:37, 9 February 2009 diff hist +27 Torsion angle dynamics →Torsion angle dynamics versus other structure calculation algorithms
8 February 2009
- 18:4518:45, 8 February 2009 diff hist 0 Momenta compensation →Global orientation of the molecule current
- 18:4518:45, 8 February 2009 diff hist +4,959 N Momenta compensation New page: == Global orientation of the molecule == In the original implementation of torsion angle dynamics in the program DYANA (Güntert et al., 1997), the N-terminus of the protein was fixed in ...
- 18:4118:41, 8 February 2009 diff hist +27 CYANA 3.0 Reference Manual →Algorithms
- 18:4118:41, 8 February 2009 diff hist −4,900 Torsion angle dynamics →Global orientation of the molecule
- 18:4018:40, 8 February 2009 diff hist −61 Torsion angle dynamics No edit summary
- 18:3718:37, 8 February 2009 diff hist +2,092 N Target function New page: The CYANA target function (Güntert et al., 1991; Güntert et al., 1997) is defined such that it is zero if and only if all experimental distance restraints and torsion angle restraints ar...
- 18:3618:36, 8 February 2009 diff hist −2,094 Torsion angle dynamics →Potential energy = target function
- 18:3418:34, 8 February 2009 diff hist +4,274 N Simulated annealing New page: == Simulated annealing == The potential energy landscape of a protein is complex and studded with many local minima, even in the presence of experimental restraints and when using a simpl...
- 18:3118:31, 8 February 2009 diff hist −4,221 Torsion angle dynamics No edit summary
- 18:3118:31, 8 February 2009 diff hist +48 CYANA 3.0 Reference Manual →Algorithms
- 18:2918:29, 8 February 2009 diff hist −6,147 Torsion angle dynamics →Torsion angle dynamics command ‘md’