AWSEM-MD: protein structure prediction using coarse-grained physical potentials and bioinformatically based local structure biasing.

@article{Davtyan2012AWSEMMDPS,
  title={AWSEM-MD: protein structure prediction using coarse-grained physical potentials and bioinformatically based local structure biasing.},
  author={A. Davtyan and Nicholas P. Schafer and Weihua Zheng and Cecilia Clementi and Peter G. Wolynes and Garegin A. Papoian},
  journal={The journal of physical chemistry. B},
  year={2012},
  volume={116 29},
  pages={8494-503}
}
The associative memory, water mediated, structure and energy model (AWSEM) is a coarse-grained protein force field. AWSEM contains physically motivated terms, such as hydrogen bonding, as well as a bioinformatically based local structure biasing term, which efficiently takes into account many-body effects that are modulated by the local sequence. When combined with appropriate local or global alignments to choose memories, AWSEM can be used to perform de novo protein structure prediction… CONTINUE READING
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Proteins: Struct., Funct., Genet

J. D. Bryngelson, J. N. Onuchic, N. D. Socci, P. G. Wolynes
1995

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