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Published in 2017 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.6b00498
Abstract: With the increase of available computational power and improvements in simulation algorithms, alchemical molecular dynamics based free energy calculations have developed into routine usage. To further facilitate the usability of alchemical methods for amino acid…
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Keywords:
protein;
amino acid;
pmx webserver;
webserver user ... See more keywords