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The entire system was initially minimized to remove close contacts using weak restraints.
Crystal lattices were constructed in PyMOL using the unit cell determined by Clearer [ 30], and these were minimized to remove side-chain clashing and unfavourable conformations.
The atomic coordinates were saved to disk every picosecond, and after the simulation the stored 100 structures were all energy minimized to remove effects due to the high temperature.
The complete model was finally energy minimized to remove any sterical overlap employing the Amber package [51].
Similar(56)
The two complexes were energy-minimized to remove possible steric stress.
The AT lipids were then energy-minimized to remove any clashes that resulted from the conversion.
Finally, the TacGINS tetramer was energy minimized, in order to remove other atomic clashes among the subunits.
Using the Schrödinger's Maestro software [ 75], each predicted 3D model was minimized, prepared, refined and re-minimized – minimization was used to remove steric clashes.
It is important to prewash the fabric before you begin to cut and sew to minimize shrinkage, and to remove fabric sizing and excess dye.
The dimeric models were minimized for 2000 steps to remove structural clashes using the conjugate gradient algorithm.
After user submission, the interface performs the requested modifications and minimizes the structure to remove any clashes that have been formed by introducing the noncanonical amino acid to the nearest local minimum.
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