Interpolating between structure d1apy.1.pdb and d1x5wa2.pdb |
| Intermediate structures are calculated by linearly interpolating distance matrices of the aligned parts of superimposed conformers. Subsequently, the intermediate structures are optimized by energy gradient minimization employing a reduced representation force field. Thus, in contrast to a simple morphing, the structure changes can be interpolated or extrapolated while preserving protein-like geometry of intermediate structures and internal structure of the rigid elements of both proteins. |
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10 intermediate model structures are generated (download structures) |