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A QM/MM Derived Polarizable Water Model for Molecular Simulation.
Molecules. 2018 Nov 29;23(12):3131. doi: 10.3390/molecules23123131.
Molecules. 2018.
PMID: 30501058
Free PMC article.
eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations.
Capoferri L, van Dijk M, Rustenburg AS, Wassenaar TA, Kooi DP, Rifai EA, Vermeulen NPE, Geerke DP.
Capoferri L, et al.
J Cheminform. 2017 Nov 21;9(1):58. doi: 10.1186/s13321-017-0243-x.
J Cheminform. 2017.
PMID: 29159598
Free PMC article.
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