Florentina Tofoleanu, Juyong Lee, Frank C. Pickard IV, Gerhard König, Jing Huang, Minkyung Baek, Chaok Seok, Bernard R. Brooks. 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. Journal of Computer-Aided Molecular Design, 31(1):107-118, 2017. [doi]
@article{TofoleanuLPKHBS17, title = {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}, author = {Florentina Tofoleanu and Juyong Lee and Frank C. Pickard IV and Gerhard König and Jing Huang and Minkyung Baek and Chaok Seok and Bernard R. Brooks}, year = {2017}, doi = {10.1007/s10822-016-9965-5}, url = {http://dx.doi.org/10.1007/s10822-016-9965-5}, researchr = {https://researchr.org/publication/TofoleanuLPKHBS17}, cites = {0}, citedby = {0}, journal = {Journal of Computer-Aided Molecular Design}, volume = {31}, number = {1}, pages = {107-118}, }