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BAR‐Based Multi‐Dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscapes: Varying the QM Region.

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Bibliographic Details
Title: BAR‐Based Multi‐Dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscapes: Varying the QM Region.
Authors: Sun, Zhaoxi1 (AUTHOR) z.sun@pku.edu.cn, Liu, Zhirong1 (AUTHOR)
Source: Advanced Theory & Simulations. Oct2021, Vol. 4 Issue 10, p1-16. 16p.
Database: Academic Search Ultimate
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ISSN:25130390
DOI:10.1002/adts.202100185