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Updated: Jun 4, 2026

Optimization of Synthetic Proteins: Identification of Interpositional Dependencies Indicating Structurally and/or Functionally Linked Residues
Published on: July 14, 2015
Conformational searching using a population-based incremental learning algorithm
Stephen M Long1, Tran T Tran, Peter Adams
1School of Physical Sciences, The University of Queensland, St. Lucia, Queensland 4072, Australia.
Abstract:
A new population-based incremental learning algorithm for conformational searching of molecules is presented. This algorithm is particularly effective at determining, by relatively small number of energy minimizations, global energy minima of large flexible molecules. The algorithm is also able to find a large set of low energy conformations of more rigid small molecules. The performance of the algorithm is relation to other algorithm is examined via the test molecules: C(18) H(38) , C(39)H(80) , cycloheptadecane and a set of five drug-like molecules.
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