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A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies | Synapse

January 14, 2014Open Access

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A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies

JTJean‐François TruchonTelesta Therapeutics (Canada)BPB. Montgomery PettittThe University of Texas Medical Branch at Galveston PLPaul LabuteFluor (United States)

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Abstract

, 2680]. This produces a rapid, reliable small molecule HFE calculation for applications in drug design.

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Cite This Study

Truchon et al. (Tue,) studied this question.

synapsesocial.com/papers/69fc1dc07861a3c0be78ceed https://doi.org/https://doi.org/10.1021/ct4009359

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