Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies - researchr publication authors

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Katarzyna B. Koziara, Martin Stroet, Alpeshkumar K. Malde, Alan E. Mark. Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies. Journal of Computer-Aided Molecular Design, 28(3):221-233, 2014. [doi]

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