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Updated: Oct 1, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
ARP/wARP's model-building algorithms. I. The main chain
Richard J Morris1, Anastassis Perrakis, Victor S Lamzin
1EMBL Hamburg c/o DESY, Notkestrasse 85, D-22603 Hamburg, Germany.
Abstract:
Algorithms underlying the automatic model-building functionality of the ARP/wARP software suite are presented. Finding the most likely set of Calpha atoms from a given set of atoms is formulated as a constrained integer programming problem. The objective function is a density-weighted score for the match between observed and expected chain conformation. Graph-search algorithms are presented that find solutions to this problem in an efficient manner.
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