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Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25847
Abstract: Contact‐assisted simulations, the contacts being predicted or determined experimentally, have become very important in the determination of the structures of proteins and other biological macromolecules. In this work, the effect of contact‐distance restraints on the…
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Keywords:
contact assisted;
penalty function;
bounded penalty;
assisted simulations ... See more keywords