المؤلفون: Lagnajit Pattanaik, Angiras Menon, Volker Settels, Kevin A. Spiekermann, Zipei Tan, Florence H. Vermeire, Frederik Sandfort, Philipp Eiden, William H. Green

مصطلحات موضوعية: Biophysics, Biochemistry, Sociology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, expensive workflow consisting, free energies across, thermodynamically relevant conformers, large data set, solution free energies, relevant solute conformers, solution free energy, free energy, relevant conformers, solute conformers, solute conformer, solution requires, solution calculated, solvent effects, small subset, reaction rates, nearly 44, kinetic modeling, help address, 000 solutes

Relation: https://figshare.com/articles/journal_contribution/ConfSolv_Prediction_of_Solute_Conformer-Free_Energies_across_a_Range_of_Solvents/24566745

الاتاحة: https://doi.org/10.1021/acs.jpcb.3c05904.s001
https://figshare.com/articles/journal_contribution/ConfSolv_Prediction_of_Solute_Conformer-Free_Energies_across_a_Range_of_Solvents/24566745