aquaPELE: A Monte Carlo-Based Algorithm to Sample the...

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aquaPELE: A Monte Carlo-Based Algorithm to Sample the Effects of Buried Water Molecules in Proteins

Municoy, Martí, Roda, Sergi, Soler, Daniel, Soutullo, Alberto, Guallar, Victor
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00925
Date:
November, 2020
File:
PDF, 9.26 MB
2020
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