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Lessons learned about steered molecular dynamics simulations and free energy calculations.

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Title: Lessons learned about steered molecular dynamics simulations and free energy calculations.
Authors: Boubeta, Fernando Martín1,2 (AUTHOR), Contestín García, Rocío María1 (AUTHOR), Lorenzo, Ezequiel Norberto1 (AUTHOR), Boechi, Leonardo3 (AUTHOR), Estrin, Dario1,2 (AUTHOR), Sued, Mariela3 (AUTHOR), Arrar, Mehrnoosh1,2 (AUTHOR) mehrnoosh.arrar@qi.fcen.uba.ar
Source: Chemical Biology & Drug Design. Jun2019, Vol. 93 Issue 6, p1129-1138. 10p.
Database: Academic Search Ultimate
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ISSN:17470277
DOI:10.1111/cbdd.13485