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One may ask how our approach compares with a model-based filtering strategy in which 3D models are built based on initial predicted contacts and then used to filter incorrect predictions.
In this approach, a prototype is designed and built based on initial needs or requirements.
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These findings are confirmed by the global lDDT scores of the models built based on those alignments (initial alignment: 0.54, shift into middle: 0.54, shift towards C-terminus: 0.53, shift towards N-terminus: 0.57).
A regrasp graph is built based on the common grasps, the initial grasps, goal grasps, and some intermediate placements.
The "initial filter" was built based on the docking results of boronic acid derivatives validated as reversible inhibitors of MP by our previous studies.
The initial RPGR model was built based on the alignment and threading the sequence of RPGR onto the template crystal structure of RCC1 (PDB code: 1a12 subunit A (Renault et al., 1998)).
Models were built based on real topography.
All the three models were built based on Morgan fingerprint.
A Bayes kernel was built based on this concept.
DARTCSIM [16] was also built based on CloudSim.
Each segment is built based on its preceding segment.
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