User contributions for 84.178.117.174

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’