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Florentina Tofoleanu

3PUBLICATIONS

6CO-AUTHORS

Statistical mechanics in chemistryBiomolecular modelling and design

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Publications (3)

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|Oct 17, 2018

Comparison of the umbrella sampling and the double decoupling method in binding free energy predictions for SAMPL6 octa-acid host-guest challenges.

Naohiro Nishikawa, Kyungreem Han, Xiongwu Wu

|Aug 08, 2018

Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method.

Kyungreem Han, Phillip S Hudson, Michael R Jones

|Oct 04, 2016

Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.

Florentina Tofoleanu, Juyong Lee, Frank C Pickard Iv

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Frequent Collaborators

2 joint publications

Kyungreem Han

2 joint publications

Naohiro Nishikawa

2 joint publications

Bernard R Brooks

1 joint publications

Phillip S Hudson

1 joint publications

Michael R Jones

1 joint publications

Xiongwu Wu

Frequent Collaborators

2 joint publications

Kyungreem Han

2 joint publications

Naohiro Nishikawa

2 joint publications

Bernard R Brooks

1 joint publications

Phillip S Hudson

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